CID 853808

69338-35-8

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1CCN(C1)C(=O)CCC(=O)O
InChI
InChI=1S/C8H13NO3/c10-7(3-4-8(11)12)9-5-1-2-6-9/h1-6H2,(H,11,12)
InChIKey
ADSJBLXBDQWPHY-UHFFFAOYSA-N
Compound name
4-oxo-4-pyrrolidin-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

114
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 138.4
[M+Na]+ 194.07876 143.6
[M-H]- 170.08226 138.6
[M+NH4]+ 189.12336 158.0
[M+K]+ 210.05270 142.9
[M+H-H2O]+ 154.08680 132.3
[M+HCOO]- 216.08774 157.3
[M+CH3COO]- 230.10339 174.4
[M+Na-2H]- 192.06421 139.8
[M]+ 171.08899 135.9
[M]- 171.09009 135.9
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