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]+ 194.08118 139.8
[M+Na]+ 216.06312 148.3
[M-H]- 192.06662 146.1
[M+NH4]+ 211.10772 159.6
[M+K]+ 232.03706 148.8
[M+H-H2O]+ 176.07116 134.7
[M+HCOO]- 238.07210 162.2
[M+CH3COO]- 252.08775 184.9
[M+Na-2H]- 214.04857 146.7
[M]+ 193.07335 142.4
[M]- 193.07445 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.