CID 20811520

556053-68-0

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC(C)(C1=CC2=C(C=C1)OCO2)N
InChI
InChI=1S/C10H13NO2/c1-10(2,11)7-3-4-8-9(5-7)13-6-12-8/h3-5H,6,11H2,1-2H3
InChIKey
JQMKHUHIDJZOLW-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
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 137.2
[M+Na]+ 202.08386 145.2
[M-H]- 178.08736 142.8
[M+NH4]+ 197.12846 157.2
[M+K]+ 218.05780 145.5
[M+H-H2O]+ 162.09190 132.6
[M+HCOO]- 224.09284 158.1
[M+CH3COO]- 238.10849 181.9
[M+Na-2H]- 200.06931 145.9
[M]+ 179.09409 137.9
[M]- 179.09519 137.9
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

No patent data available for this compound.