CID 18649401

928063-85-8

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(C)N1[C@@H](CCC1=O)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-5(2)9-6(8(11)12)3-4-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKey
JKROOJVDSHRXCY-LURJTMIESA-N
Compound name
(2S)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

171.08954 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.3
[M+Na]+ 194.07876 143.4
[M-H]- 170.08226 137.3
[M+NH4]+ 189.12336 156.5
[M+K]+ 210.05270 142.7
[M+H-H2O]+ 154.08680 131.0
[M+HCOO]- 216.08774 155.2
[M+CH3COO]- 230.10339 177.5
[M+Na-2H]- 192.06421 136.6
[M]+ 171.08899 134.7
[M]- 171.09009 134.7
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

patents stripe