CID 3404904

4-maleimidobutyric acid

Structural Information

Molecular Formula
C8H9NO4
SMILES
C1=CC(=O)N(C1=O)CCCC(=O)O
InChI
InChI=1S/C8H9NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h3-4H,1-2,5H2,(H,12,13)
InChIKey
NCPQROHLJFARLL-UHFFFAOYSA-N
Compound name
4-(2,5-dioxopyrrol-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2967
Patents

183.05316 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 135.6
[M+Na]+ 206.04238 144.0
[M-H]- 182.04588 136.8
[M+NH4]+ 201.08698 155.2
[M+K]+ 222.01632 142.5
[M+H-H2O]+ 166.05042 129.9
[M+HCOO]- 228.05136 157.3
[M+CH3COO]- 242.06701 177.5
[M+Na-2H]- 204.02783 138.1
[M]+ 183.05261 136.8
[M]- 183.05371 136.8
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