CID 2110933

Benzyl[3-(dimethylamino)propyl]amine dihydrochloride

Structural Information

Molecular Formula
C12H20N2
SMILES
CN(C)CCCNCC1=CC=CC=C1
InChI
InChI=1S/C12H20N2/c1-14(2)10-6-9-13-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKey
YRZNCMFHFHBVMC-UHFFFAOYSA-N
Compound name
N-benzyl-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

192.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.169916 145.9
[M+Na]+ 215.151858 150.4
[M-H]- 191.155364 150.2
[M+NH4]+ 210.196463 165.4
[M+K]+ 231.125798 149.1
[M+H-H2O]+ 175.159900 138.7
[M+HCOO]- 237.160841 172.0
[M+CH3COO]- 251.176491 193.7
[M+Na-2H]- 213.137306 152.3
[M]+ 192.16209142 146.6
[M]- 192.16318858 146.6
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

patents stripe