CID 201759

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

Structural Information

Molecular Formula
C12H15NO4
SMILES
CN(C)C(=O)COC(=O)C1=CC=CC=C1OC
InChI
InChI=1S/C12H15NO4/c1-13(2)11(14)8-17-12(15)9-6-4-5-7-10(9)16-3/h4-7H,8H2,1-3H3
InChIKey
RHBSARBDEDXWOB-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-2-oxoethyl] 2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

237.10011 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 151.7
[M+Na]+ 260.08933 158.0
[M-H]- 236.09283 156.7
[M+NH4]+ 255.13393 169.7
[M+K]+ 276.06327 158.7
[M+H-H2O]+ 220.09737 144.7
[M+HCOO]- 282.09831 176.1
[M+CH3COO]- 296.11396 196.7
[M+Na-2H]- 258.07478 154.8
[M]+ 237.09956 156.5
[M]- 237.10066 156.5
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

patents stripe