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
3
Annotation Hits

0
References

8727
Patents

193.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 143.1
[M+Na]+ 216.099498 148.9
[M-H]- 192.103004 147.8
[M+NH4]+ 211.144103 162.8
[M+K]+ 232.073438 148.8
[M+H-H2O]+ 176.107540 136.3
[M+HCOO]- 238.108481 168.2
[M+CH3COO]- 252.124131 189.0
[M+Na-2H]- 214.084946 148.5
[M]+ 193.10973142 145.7
[M]- 193.11082858 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