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

32
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.