CID 676544

59785-66-9

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCC(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C8H13NO3/c1-2-7(10)9-5-3-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey
DAOGFHQPAHSMQS-LURJTMIESA-N
Compound name
(2S)-1-propanoylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

171.08954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 137.6
[M+Na]+ 194.07876 143.7
[M-H]- 170.08226 138.1
[M+NH4]+ 189.12336 157.5
[M+K]+ 210.05270 143.0
[M+H-H2O]+ 154.08680 131.9
[M+HCOO]- 216.08774 156.5
[M+CH3COO]- 230.10339 175.6
[M+Na-2H]- 192.06421 138.4
[M]+ 171.08899 135.4
[M]- 171.09009 135.4
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