CID 12735676

56805-18-6

Structural Information

Molecular Formula
C7H9NO4
SMILES
CC(=O)N1[C@@H](CCC1=O)C(=O)O
InChI
InChI=1S/C7H9NO4/c1-4(9)8-5(7(11)12)2-3-6(8)10/h5H,2-3H2,1H3,(H,11,12)/t5-/m0/s1
InChIKey
AYNBBSMJRSAAHP-YFKPBYRVSA-N
Compound name
(2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

171.05316 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 133.1
[M+Na]+ 194.04238 140.8
[M-H]- 170.04588 134.2
[M+NH4]+ 189.08698 153.2
[M+K]+ 210.01632 140.3
[M+H-H2O]+ 154.05042 127.9
[M+HCOO]- 216.05136 152.8
[M+CH3COO]- 230.06701 175.1
[M+Na-2H]- 192.02783 134.0
[M]+ 171.05261 131.8
[M]- 171.05371 131.8
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