CID 9837165

N-[(1,3-dioxaindan-5-yl)methyl]-n-methylacetamide

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(=O)N(C)CC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C11H13NO3/c1-8(13)12(2)6-9-3-4-10-11(5-9)15-7-14-10/h3-5H,6-7H2,1-2H3
InChIKey
JIWDGIYBLGMPRV-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

207.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.0
[M+Na]+ 230.07876 152.2
[M-H]- 206.08226 152.2
[M+NH4]+ 225.12336 164.5
[M+K]+ 246.05270 154.0
[M+H-H2O]+ 190.08680 139.4
[M+HCOO]- 252.08774 167.6
[M+CH3COO]- 266.10339 190.2
[M+Na-2H]- 228.06421 151.3
[M]+ 207.08899 148.8
[M]- 207.09009 148.8
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

No patent data available for this compound.