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

146
Patents

192.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 145.9
[M+Na]+ 215.15186 150.4
[M-H]- 191.15536 150.2
[M+NH4]+ 210.19646 165.4
[M+K]+ 231.12580 149.1
[M+H-H2O]+ 175.15990 138.7
[M+HCOO]- 237.16084 172.0
[M+CH3COO]- 251.17649 193.7
[M+Na-2H]- 213.13731 152.3
[M]+ 192.16209 146.6
[M]- 192.16319 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