CID 57773

Hg-1224

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1=C(C(=CC=C1)C)C(=O)OCCN2CCCC2
InChI
InChI=1S/C15H21NO2/c1-12-6-5-7-13(2)14(12)15(17)18-11-10-16-8-3-4-9-16/h5-7H,3-4,8-11H2,1-2H3
InChIKey
PPNRGAWIOVQCBT-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 2,6-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 159.1
[M+Na]+ 270.146448 165.0
[M-H]- 246.149954 164.0
[M+NH4]+ 265.191053 176.9
[M+K]+ 286.120388 162.4
[M+H-H2O]+ 230.154490 151.5
[M+HCOO]- 292.155431 179.4
[M+CH3COO]- 306.171081 193.9
[M+Na-2H]- 268.131896 159.5
[M]+ 247.15668142 159.2
[M]- 247.15777858 159.2
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.