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

46
Patents

171.08954 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 136.3
[M+Na]+ 194.078758 143.4
[M-H]- 170.082264 137.3
[M+NH4]+ 189.123363 156.5
[M+K]+ 210.052698 142.7
[M+H-H2O]+ 154.086800 131.0
[M+HCOO]- 216.087741 155.2
[M+CH3COO]- 230.103391 177.5
[M+Na-2H]- 192.064206 136.6
[M]+ 171.08899142 134.7
[M]- 171.09008858 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