CID 15324300

23500-15-4

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)C(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C9H15NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKey
WKQUFVTUGGLNNO-ZETCQYMHSA-N
Compound name
(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

185.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 142.1
[M+Na]+ 208.09442 147.6
[M-H]- 184.09792 142.6
[M+NH4]+ 203.13902 161.4
[M+K]+ 224.06836 147.2
[M+H-H2O]+ 168.10246 136.4
[M+HCOO]- 230.10340 159.7
[M+CH3COO]- 244.11905 179.6
[M+Na-2H]- 206.07987 141.2
[M]+ 185.10465 139.7
[M]- 185.10575 139.7
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

No patent data available for this compound.