CID 201760

O-toluic acid, ester with n,n-dimethylglycolamide

Structural Information

Molecular Formula
C12H15NO3
SMILES
CC1=CC=CC=C1C(=O)OCC(=O)N(C)C
InChI
InChI=1S/C12H15NO3/c1-9-6-4-5-7-10(9)12(15)16-8-11(14)13(2)3/h4-7H,8H2,1-3H3
InChIKey
WQYVAOSJBBNIPX-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-2-oxoethyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 148.8
[M+Na]+ 244.09442 155.2
[M-H]- 220.09792 153.9
[M+NH4]+ 239.13902 167.5
[M+K]+ 260.06836 155.4
[M+H-H2O]+ 204.10246 142.1
[M+HCOO]- 266.10340 173.0
[M+CH3COO]- 280.11905 194.6
[M+Na-2H]- 242.07987 151.8
[M]+ 221.10465 152.2
[M]- 221.10575 152.2
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.