CID 40397

2-(aminoethyl)-2-methyl-1,3-benzodioxole hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC1(OC2=CC=CC=C2O1)CCN
InChI
InChI=1S/C10H13NO2/c1-10(6-7-11)12-8-4-2-3-5-9(8)13-10/h2-5H,6-7,11H2,1H3
InChIKey
QJVISIGJNWISTB-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-benzodioxol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 136.5
[M+Na]+ 202.08386 145.1
[M-H]- 178.08736 142.1
[M+NH4]+ 197.12846 158.5
[M+K]+ 218.05780 145.0
[M+H-H2O]+ 162.09190 131.8
[M+HCOO]- 224.09284 159.0
[M+CH3COO]- 238.10849 181.0
[M+Na-2H]- 200.06931 145.5
[M]+ 179.09409 138.0
[M]- 179.09519 138.0
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