CID 16769181

(3-{[methyl(propan-2-yl)amino]methyl}phenyl)methanamine dihydrochloride

Structural Information

Molecular Formula
C12H20N2
SMILES
CC(C)N(C)CC1=CC=CC(=C1)CN
InChI
InChI=1S/C12H20N2/c1-10(2)14(3)9-12-6-4-5-11(7-12)8-13/h4-7,10H,8-9,13H2,1-3H3
InChIKey
AEXPPRUUJRVFNW-UHFFFAOYSA-N
Compound name
N-[[3-(aminomethyl)phenyl]methyl]-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.16264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.169916 146.9
[M+Na]+ 215.151858 152.1
[M-H]- 191.155364 151.2
[M+NH4]+ 210.196463 166.4
[M+K]+ 231.125798 151.0
[M+H-H2O]+ 175.159900 140.1
[M+HCOO]- 237.160841 171.3
[M+CH3COO]- 251.176491 195.0
[M+Na-2H]- 213.137306 150.2
[M]+ 192.16209142 146.3
[M]- 192.16318858 146.3
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.