CID 19939161

[2-(2h-1,3-benzodioxol-5-yl)propan-2-yl](methyl)amine

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C)(C1=CC2=C(C=C1)OCO2)NC
InChI
InChI=1S/C11H15NO2/c1-11(2,12-3)8-4-5-9-10(6-8)14-7-13-9/h4-6,12H,7H2,1-3H3
InChIKey
ZQOLNFHGRAXKBK-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

193.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.5
[M+Na]+ 216.09950 149.1
[M-H]- 192.10300 147.4
[M+NH4]+ 211.14410 161.3
[M+K]+ 232.07344 149.5
[M+H-H2O]+ 176.10754 136.7
[M+HCOO]- 238.10848 162.7
[M+CH3COO]- 252.12413 185.6
[M+Na-2H]- 214.08495 150.7
[M]+ 193.10973 143.6
[M]- 193.11083 143.6
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