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

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References

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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 149.3
[M+Na]+ 244.09442 160.0
[M+NH4]+ 239.13902 156.3
[M+K]+ 260.06836 155.3
[M-H]- 220.09792 150.8
[M+Na-2H]- 242.07987 154.7
[M]+ 221.10465 151.0
[M]- 221.10575 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.