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

147
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 127.6
[M+Na]+ 174.05254 136.0
[M-H]- 150.05604 133.2
[M+NH4]+ 169.09714 148.6
[M+K]+ 190.02648 136.3
[M+H-H2O]+ 134.06058 122.6
[M+HCOO]- 196.06152 150.7
[M+CH3COO]- 210.07717 142.3
[M+Na-2H]- 172.03799 136.5
[M]+ 151.06277 128.1
[M]- 151.06387 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