CID 416012

O-toluic acid, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCN(CC)CCOC(=O)C1=CC=CC=C1C
InChI
InChI=1S/C14H21NO2/c1-4-15(5-2)10-11-17-14(16)13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3
InChIKey
MQWNELMTEQGJRG-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 156.5
[M+Na]+ 258.14645 162.1
[M-H]- 234.14995 161.1
[M+NH4]+ 253.19105 174.8
[M+K]+ 274.12039 161.2
[M+H-H2O]+ 218.15449 149.4
[M+HCOO]- 280.15543 180.6
[M+CH3COO]- 294.17108 199.2
[M+Na-2H]- 256.13190 159.6
[M]+ 235.15668 160.6
[M]- 235.15778 160.6
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.