CID 19805444

2h-1,3-benzodioxol-4-ylmethanamine

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

140
Patents

151.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 127.6
[M+Na]+ 174.052538 136.0
[M-H]- 150.056044 133.2
[M+NH4]+ 169.097143 148.6
[M+K]+ 190.026478 136.3
[M+H-H2O]+ 134.060580 122.6
[M+HCOO]- 196.061521 150.7
[M+CH3COO]- 210.077171 142.3
[M+Na-2H]- 172.037986 136.5
[M]+ 151.06277142 128.1
[M]- 151.06386858 128.1
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