CID 7405

L-pyroglutamic acid

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1CC(=O)N[C@@H]1C(=O)O
InChI
InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKey
ODHCTXKNWHHXJC-VKHMYHEASA-N
Compound name
(2S)-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3408
References

153271
Patents

129.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 124.3
[M+Na]+ 152.031808 131.5
[M-H]- 128.035314 123.8
[M+NH4]+ 147.076413 145.1
[M+K]+ 168.005748 130.1
[M+H-H2O]+ 112.039850 119.2
[M+HCOO]- 174.040791 143.6
[M+CH3COO]- 188.056441 163.8
[M+Na-2H]- 150.017256 127.4
[M]+ 129.04204142 119.9
[M]- 129.04313858 119.9
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