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

111
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 138.3
[M+Na]+ 194.07876 146.4
[M+NH4]+ 189.12336 144.6
[M+K]+ 210.05270 144.2
[M-H]- 170.08226 136.8
[M+Na-2H]- 192.06421 140.2
[M]+ 171.08899 138.5
[M]- 171.09009 138.5
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