CID 573621

3-maleimidopropionic acid

Structural Information

Molecular Formula
C7H7NO4
SMILES
C1=CC(=O)N(C1=O)CCC(=O)O
InChI
InChI=1S/C7H7NO4/c9-5-1-2-6(10)8(5)4-3-7(11)12/h1-2H,3-4H2,(H,11,12)
InChIKey
IUTPJBLLJJNPAJ-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7259
Patents

169.0375 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 130.9
[M+Na]+ 192.02672 139.8
[M-H]- 168.03022 132.3
[M+NH4]+ 187.07132 151.1
[M+K]+ 208.00066 138.6
[M+H-H2O]+ 152.03476 125.5
[M+HCOO]- 214.03570 153.0
[M+CH3COO]- 228.05135 174.4
[M+Na-2H]- 190.01217 134.0
[M]+ 169.03695 131.8
[M]- 169.03805 131.8
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