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]+ 248.16451 159.1
[M+Na]+ 270.14645 165.0
[M-H]- 246.14995 164.0
[M+NH4]+ 265.19105 176.9
[M+K]+ 286.12039 162.4
[M+H-H2O]+ 230.15449 151.5
[M+HCOO]- 292.15543 179.4
[M+CH3COO]- 306.17108 193.9
[M+Na-2H]- 268.13190 159.5
[M]+ 247.15668 159.2
[M]- 247.15778 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.