CID 2735482

N1-benzylbenzene-1,2-diamine

Structural Information

Molecular Formula
C13H14N2
SMILES
C1=CC=C(C=C1)CNC2=CC=CC=C2N
InChI
InChI=1S/C13H14N2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10,14H2
InChIKey
ZOBQXWFQMOJTJF-UHFFFAOYSA-N
Compound name
2-N-benzylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

198.11569 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 144.8
[M+Na]+ 221.10491 158.5
[M+NH4]+ 216.14951 154.5
[M+K]+ 237.07885 150.2
[M-H]- 197.10841 151.4
[M+Na-2H]- 219.09036 155.5
[M]+ 198.11514 148.6
[M]- 198.11624 148.6
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

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