CID 3146689

4-(2-oxopyrrolidin-1-yl)butanoic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1CC(=O)N(C1)CCCC(=O)O
InChI
InChI=1S/C8H13NO3/c10-7-3-1-5-9(7)6-2-4-8(11)12/h1-6H2,(H,11,12)
InChIKey
WRDMYTORSDPYMO-UHFFFAOYSA-N
Compound name
4-(2-oxopyrrolidin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

101
Patents

171.08954 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 137.1
[M+Na]+ 194.07876 143.4
[M-H]- 170.08226 137.5
[M+NH4]+ 189.12336 157.0
[M+K]+ 210.05270 142.2
[M+H-H2O]+ 154.08680 131.2
[M+HCOO]- 216.08774 157.0
[M+CH3COO]- 230.10339 175.4
[M+Na-2H]- 192.06421 139.1
[M]+ 171.08899 135.7
[M]- 171.09009 135.7
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