CID 18718180

1955524-53-4

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC(=O)NCC1=C(C=CC=C1OC)OC
InChI
InChI=1S/C11H15NO3/c1-8(13)12-7-9-10(14-2)5-4-6-11(9)15-3/h4-6H,7H2,1-3H3,(H,12,13)
InChIKey
KOFRPILEEFGDBE-UHFFFAOYSA-N
Compound name
N-[(2,6-dimethoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

209.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 145.0
[M+Na]+ 232.094418 152.6
[M-H]- 208.097924 149.1
[M+NH4]+ 227.139023 164.0
[M+K]+ 248.068358 151.7
[M+H-H2O]+ 192.102460 138.7
[M+HCOO]- 254.103401 169.9
[M+CH3COO]- 268.119051 189.9
[M+Na-2H]- 230.079866 149.9
[M]+ 209.10465142 148.6
[M]- 209.10574858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe