CID 9834145

358629-51-3

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC[C@@H](C(=O)OC)N1CCCC1=O
InChI
InChI=1S/C9H15NO3/c1-3-7(9(12)13-2)10-6-4-5-8(10)11/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKey
QRQVFVYABBZXFO-ZETCQYMHSA-N
Compound name
methyl (2S)-2-(2-oxopyrrolidin-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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 141.3
[M+Na]+ 208.09442 147.4
[M-H]- 184.09792 143.1
[M+NH4]+ 203.13902 161.4
[M+K]+ 224.06836 147.4
[M+H-H2O]+ 168.10246 135.2
[M+HCOO]- 230.10340 161.4
[M+CH3COO]- 244.11905 181.3
[M+Na-2H]- 206.07987 142.1
[M]+ 185.10465 141.4
[M]- 185.10575 141.4
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