CID 107609

4931-68-4

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCCCOC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C9H15NO3/c1-2-3-6-13-9(12)7-4-5-8(11)10-7/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKey
QBBAJUQOYIURHA-ZETCQYMHSA-N
Compound name
butyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

102
Patents

185.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 142.0
[M+Na]+ 208.09442 147.9
[M-H]- 184.09792 142.2
[M+NH4]+ 203.13902 161.4
[M+K]+ 224.06836 146.5
[M+H-H2O]+ 168.10246 135.9
[M+HCOO]- 230.10340 161.5
[M+CH3COO]- 244.11905 177.8
[M+Na-2H]- 206.07987 143.4
[M]+ 185.10465 140.9
[M]- 185.10575 140.9
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