CID 75158

2-(dimethylamino)ethyl benzoate

Structural Information

Molecular Formula
C11H15NO2
SMILES
CN(C)CCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H15NO2/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
KJSGODDTWRXQRH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9941
Patents

193.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.1
[M+Na]+ 216.09950 148.9
[M-H]- 192.10300 147.8
[M+NH4]+ 211.14410 162.8
[M+K]+ 232.07344 148.8
[M+H-H2O]+ 176.10754 136.3
[M+HCOO]- 238.10848 168.2
[M+CH3COO]- 252.12413 189.0
[M+Na-2H]- 214.08495 148.5
[M]+ 193.10973 145.7
[M]- 193.11083 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe