CID 19805444

182634-34-0

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1OC2=CC=CC(=C2O1)CN
InChI
InChI=1S/C8H9NO2/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3H,4-5,9H2
InChIKey
WOSCKVGRNOPBKO-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

151.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 128.1
[M+Na]+ 174.05254 139.9
[M+NH4]+ 169.09714 137.4
[M+K]+ 190.02648 136.5
[M-H]- 150.05604 133.3
[M+Na-2H]- 172.03799 132.9
[M]+ 151.06277 131.2
[M]- 151.06387 131.2
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

patents stripe