CID 55264397

1211593-43-9

Structural Information

Molecular Formula
C8H15NO2
SMILES
COC(=O)CCC1CCNC1
InChI
InChI=1S/C8H15NO2/c1-11-8(10)3-2-7-4-5-9-6-7/h7,9H,2-6H2,1H3
InChIKey
IGDJQOWNEAVMDD-UHFFFAOYSA-N
Compound name
methyl 3-pyrrolidin-3-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

157.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 136.6
[M+Na]+ 180.09950 141.9
[M-H]- 156.10300 136.7
[M+NH4]+ 175.14410 157.0
[M+K]+ 196.07344 140.8
[M+H-H2O]+ 140.10754 130.5
[M+HCOO]- 202.10848 156.1
[M+CH3COO]- 216.12413 172.4
[M+Na-2H]- 178.08495 139.2
[M]+ 157.10973 134.0
[M]- 157.11083 134.0
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.