CID 12647629

76311-92-7

Structural Information

Molecular Formula
C8H13NO3
SMILES
COC(=O)CC(=O)N1CCCC1
InChI
InChI=1S/C8H13NO3/c1-12-8(11)6-7(10)9-4-2-3-5-9/h2-6H2,1H3
InChIKey
GAMWBIRNDXNLPK-UHFFFAOYSA-N
Compound name
methyl 3-oxo-3-pyrrolidin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.08954 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 137.8
[M+Na]+ 194.078758 143.5
[M-H]- 170.082264 139.4
[M+NH4]+ 189.123363 158.2
[M+K]+ 210.052698 143.8
[M+H-H2O]+ 154.086800 131.6
[M+HCOO]- 216.087741 158.3
[M+CH3COO]- 230.103391 176.4
[M+Na-2H]- 192.064206 139.7
[M]+ 171.08899142 137.1
[M]- 171.09008858 137.1
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