CID 201761

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

Structural Information

Molecular Formula
C14H19NO3
SMILES
CCN(CC)C(=O)COC(=O)C1=CC=CC=C1C
InChI
InChI=1S/C14H19NO3/c1-4-15(5-2)13(16)10-18-14(17)12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3
InChIKey
BPSNFPPAMWTSNU-UHFFFAOYSA-N
Compound name
[2-(diethylamino)-2-oxoethyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.3
[M+Na]+ 272.12571 163.9
[M-H]- 248.12921 163.0
[M+NH4]+ 267.17031 175.9
[M+K]+ 288.09965 163.5
[M+H-H2O]+ 232.13375 151.2
[M+HCOO]- 294.13469 181.9
[M+CH3COO]- 308.15034 200.6
[M+Na-2H]- 270.11116 160.2
[M]+ 249.13594 162.4
[M]- 249.13704 162.4
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.