CID 4255417

N-benzyl-1,4-phenylenediamine dihydrochloride

Structural Information

Molecular Formula
C13H14N2
SMILES
C1=CC=C(C=C1)CNC2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10,14H2
InChIKey
HLFCOTXLSHLIBK-UHFFFAOYSA-N
Compound name
4-N-benzylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

198.11569 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 142.5
[M+Na]+ 221.104908 148.9
[M-H]- 197.108414 148.7
[M+NH4]+ 216.149513 160.8
[M+K]+ 237.078848 144.7
[M+H-H2O]+ 181.112950 135.1
[M+HCOO]- 243.113891 168.7
[M+CH3COO]- 257.129541 189.3
[M+Na-2H]- 219.090356 150.3
[M]+ 198.11514142 139.3
[M]- 198.11623858 139.3
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