CID 3023785

2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCN1C(CCC1=O)CC(=O)O
InChI
InChI=1S/C8H13NO3/c1-2-9-6(5-8(11)12)3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKey
BABFDJDHGVJREU-UHFFFAOYSA-N
Compound name
2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.3
[M+Na]+ 194.07876 143.6
[M-H]- 170.08226 137.2
[M+NH4]+ 189.12336 156.6
[M+K]+ 210.05270 142.4
[M+H-H2O]+ 154.08680 130.9
[M+HCOO]- 216.08774 156.2
[M+CH3COO]- 230.10339 176.6
[M+Na-2H]- 192.06421 137.8
[M]+ 171.08899 135.4
[M]- 171.09009 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.