CID 21125447

Mmdppa

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(CC1=CC2=C(C=C1)OCO2)C(=O)N
InChI
InChI=1S/C11H13NO3/c1-7(11(12)13)4-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3,(H2,12,13)
InChIKey
WJHISTBMGKCBDJ-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

207.08954 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.9
[M+Na]+ 230.07876 152.6
[M-H]- 206.08226 151.1
[M+NH4]+ 225.12336 164.3
[M+K]+ 246.05270 153.0
[M+H-H2O]+ 190.08680 140.3
[M+HCOO]- 252.08774 166.3
[M+CH3COO]- 266.10339 187.7
[M+Na-2H]- 228.06421 150.6
[M]+ 207.08899 146.8
[M]- 207.09009 146.8
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.