CID 71758655

N-(6-methyl-2h-1,3-benzodioxol-5-yl)acetamide

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC1=CC2=C(C=C1NC(=O)C)OCO2
InChI
InChI=1S/C10H11NO3/c1-6-3-9-10(14-5-13-9)4-8(6)11-7(2)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKey
AQEGZDFRJZQYSE-UHFFFAOYSA-N
Compound name
N-(6-methyl-1,3-benzodioxol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.8
[M+Na]+ 216.063118 148.3
[M-H]- 192.066624 146.1
[M+NH4]+ 211.107723 159.6
[M+K]+ 232.037058 148.8
[M+H-H2O]+ 176.071160 134.7
[M+HCOO]- 238.072101 162.2
[M+CH3COO]- 252.087751 184.9
[M+Na-2H]- 214.048566 146.7
[M]+ 193.07335142 142.4
[M]- 193.07444858 142.4
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

No patent data available for this compound.