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

literature stripe

Patent stripe

patents stripe