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

240
Patents

198.11569 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 142.5
[M+Na]+ 221.10491 148.9
[M-H]- 197.10841 148.7
[M+NH4]+ 216.14951 160.8
[M+K]+ 237.07885 144.7
[M+H-H2O]+ 181.11295 135.1
[M+HCOO]- 243.11389 168.7
[M+CH3COO]- 257.12954 189.3
[M+Na-2H]- 219.09036 150.3
[M]+ 198.11514 139.3
[M]- 198.11624 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