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]+ 172.096816 136.3
[M+Na]+ 194.078758 143.6
[M-H]- 170.082264 137.2
[M+NH4]+ 189.123363 156.6
[M+K]+ 210.052698 142.4
[M+H-H2O]+ 154.086800 130.9
[M+HCOO]- 216.087741 156.2
[M+CH3COO]- 230.103391 176.6
[M+Na-2H]- 192.064206 137.8
[M]+ 171.08899142 135.4
[M]- 171.09008858 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.