CID 5826002

N-(3,3,5-trimethylcyclohexyl)maleamic acid

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC1CC(CC(C1)(C)C)NC(=O)/C=C/C(=O)O
InChI
InChI=1S/C13H21NO3/c1-9-6-10(8-13(2,3)7-9)14-11(15)4-5-12(16)17/h4-5,9-10H,6-8H2,1-3H3,(H,14,15)(H,16,17)/b5-4+
InChIKey
VJVRSOGEUWANMN-SNAWJCMRSA-N
Compound name
(E)-4-oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

239.15215 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 155.7
[M+Na]+ 262.141368 160.3
[M-H]- 238.144874 157.3
[M+NH4]+ 257.185973 174.4
[M+K]+ 278.115308 158.3
[M+H-H2O]+ 222.149410 151.0
[M+HCOO]- 284.150351 173.4
[M+CH3COO]- 298.166001 192.8
[M+Na-2H]- 260.126816 156.3
[M]+ 239.15160142 152.1
[M]- 239.15269858 152.1
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

No patent data available for this compound.