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

57
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

literature stripe

Patent stripe

patents stripe