CID 5903252

N,n'-(1,4-cyclohexylenedimethylene)-dimaleamic acid

Structural Information

Molecular Formula
C16H22N2O6
SMILES
C1C(CCC(C1)CNC(=O)/C=C/C(=O)O)CNC(=O)/C=C/C(=O)O
InChI
InChI=1S/C16H22N2O6/c19-13(5-7-15(21)22)17-9-11-1-2-12(4-3-11)10-18-14(20)6-8-16(23)24/h5-8,11-12H,1-4,9-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b7-5+,8-6+
InChIKey
NLXZJJUUIBJWKI-KQQUZDAGSA-N
Compound name
(E)-4-[[4-[[[(E)-3-carboxyprop-2-enoyl]amino]methyl]cyclohexyl]methylamino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

338.1478 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.155076 178.0
[M+Na]+ 361.137018 178.1
[M-H]- 337.140524 176.7
[M+NH4]+ 356.181623 188.4
[M+K]+ 377.110958 175.6
[M+H-H2O]+ 321.145060 170.8
[M+HCOO]- 383.146001 193.3
[M+CH3COO]- 397.161651 209.2
[M+Na-2H]- 359.122466 174.3
[M]+ 338.14725142 172.8
[M]- 338.14834858 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.