CID 215939

36846-57-8

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC(CN1CCCC1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-12(11-15-9-5-6-10-15)17-14(16)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKey
RRBJALDNXQGHJF-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-ylpropan-2-yl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.9
[M+Na]+ 256.13081 166.1
[M+NH4]+ 251.17541 163.6
[M+K]+ 272.10475 161.9
[M-H]- 232.13431 158.1
[M+Na-2H]- 254.11626 161.6
[M]+ 233.14104 157.7
[M]- 233.14214 157.7
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.