CID 11548799

Trans-4-(n-maleimidomethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C12H15NO4
SMILES
C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)O
InChI
InChI=1S/C12H15NO4/c14-10-5-6-11(15)13(10)7-8-1-3-9(4-2-8)12(16)17/h5-6,8-9H,1-4,7H2,(H,16,17)
InChIKey
LQILVUYCDHSGEU-UHFFFAOYSA-N
Compound name
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

13098
Patents

237.10011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 151.8
[M+Na]+ 260.08933 157.7
[M-H]- 236.09283 155.4
[M+NH4]+ 255.13393 168.9
[M+K]+ 276.06327 155.2
[M+H-H2O]+ 220.09737 145.2
[M+HCOO]- 282.09831 169.4
[M+CH3COO]- 296.11396 187.7
[M+Na-2H]- 258.07478 151.0
[M]+ 237.09956 148.1
[M]- 237.10066 148.1
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