CID 71750309

1-(1,3-benzodioxol-4-yl)-n-methylpropan-2-amine

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(CC1=C2C(=CC=C1)OCO2)NC
InChI
InChI=1S/C11H15NO2/c1-8(12-2)6-9-4-3-5-10-11(9)14-7-13-10/h3-5,8,12H,6-7H2,1-2H3
InChIKey
RTZIIFGBTSUSEL-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-4-yl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

193.11028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 142.8
[M+Na]+ 216.099498 149.6
[M-H]- 192.103004 148.4
[M+NH4]+ 211.144103 162.3
[M+K]+ 232.073438 150.0
[M+H-H2O]+ 176.107540 137.3
[M+HCOO]- 238.108481 164.4
[M+CH3COO]- 252.124131 186.1
[M+Na-2H]- 214.084946 149.7
[M]+ 193.10973142 144.6
[M]- 193.11082858 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.