CID 1678743

N-decylmaleamic acid

Structural Information

Molecular Formula
C14H25NO3
SMILES
CCCCCCCCCCNC(=O)/C=C/C(=O)O
InChI
InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-12-15-13(16)10-11-14(17)18/h10-11H,2-9,12H2,1H3,(H,15,16)(H,17,18)/b11-10+
InChIKey
PSNAHWRZQOSIQE-ZHACJKMWSA-N
Compound name
(E)-4-(decylamino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 165.8
[M+Na]+ 278.172658 168.8
[M-H]- 254.176164 163.3
[M+NH4]+ 273.217263 181.6
[M+K]+ 294.146598 166.1
[M+H-H2O]+ 238.180700 159.4
[M+HCOO]- 300.181641 185.8
[M+CH3COO]- 314.197291 197.2
[M+Na-2H]- 276.158106 165.8
[M]+ 255.18289142 168.1
[M]- 255.18398858 168.1
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

patents stripe