CID 10606919

34060-22-5

Structural Information

Molecular Formula
C8H9NO2
SMILES
CNC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C8H9NO2/c1-9-6-2-3-7-8(4-6)11-5-10-7/h2-4,9H,5H2,1H3
InChIKey
LVHVNEHCBSZOEN-UHFFFAOYSA-N
Compound name
N-methyl-1,3-benzodioxol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

151.06332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 127.1
[M+Na]+ 174.05254 135.5
[M-H]- 150.05604 133.2
[M+NH4]+ 169.09714 148.4
[M+K]+ 190.02648 136.2
[M+H-H2O]+ 134.06058 122.1
[M+HCOO]- 196.06152 150.8
[M+CH3COO]- 210.07717 176.1
[M+Na-2H]- 172.03799 137.0
[M]+ 151.06277 128.6
[M]- 151.06387 128.6
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