CID 48945

Gamma-pyrrolidinopropyl benzoate hydrochloride

Structural Information

Molecular Formula
C14H19NO2
SMILES
C1CCN(C1)CCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c16-14(13-7-2-1-3-8-13)17-12-6-11-15-9-4-5-10-15/h1-3,7-8H,4-6,9-12H2
InChIKey
UJAYQYRXAFBAIR-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpropyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.4
[M+Na]+ 256.13081 159.8
[M-H]- 232.13431 159.6
[M+NH4]+ 251.17541 173.0
[M+K]+ 272.10475 157.4
[M+H-H2O]+ 216.13885 147.3
[M+HCOO]- 278.13979 176.0
[M+CH3COO]- 292.15544 188.6
[M+Na-2H]- 254.11626 157.6
[M]+ 233.14104 154.3
[M]- 233.14214 154.3
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.