CID 120200

2-allyloxy-3-methylbenzamide

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=C(C(=CC=C1)C(=O)N)OCC=C
InChI
InChI=1S/C11H13NO2/c1-3-7-14-10-8(2)5-4-6-9(10)11(12)13/h3-6H,1,7H2,2H3,(H2,12,13)
InChIKey
NFQUEVQQAVDQPM-UHFFFAOYSA-N
Compound name
3-methyl-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.0
[M+Na]+ 214.08386 148.9
[M-H]- 190.08736 144.6
[M+NH4]+ 209.12846 160.4
[M+K]+ 230.05780 146.4
[M+H-H2O]+ 174.09190 135.1
[M+HCOO]- 236.09284 165.2
[M+CH3COO]- 250.10849 187.0
[M+Na-2H]- 212.06931 144.8
[M]+ 191.09409 141.5
[M]- 191.09519 141.5
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