CID 11607993

102849-49-0

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC[C@@H](C(=O)O)N1CCCC1=O
InChI
InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey
IODGAONBTQRGGG-LURJTMIESA-N
Compound name
(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

234
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 137.3
[M+Na]+ 194.07876 143.4
[M-H]- 170.08226 137.8
[M+NH4]+ 189.12336 157.2
[M+K]+ 210.05270 142.7
[M+H-H2O]+ 154.08680 131.6
[M+HCOO]- 216.08774 156.2
[M+CH3COO]- 230.10339 176.3
[M+Na-2H]- 192.06421 138.1
[M]+ 171.08899 135.3
[M]- 171.09009 135.3
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