CID 36104

[1,1'-biphenyl]-3,4'-diamine

Structural Information

Molecular Formula
C12H12N2
SMILES
C1=CC(=CC(=C1)N)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8H,13-14H2
InChIKey
QSPMTSAELLSLOQ-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2122
Patents

184.10005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.107326 138.9
[M+Na]+ 207.089268 146.7
[M-H]- 183.092774 145.2
[M+NH4]+ 202.133873 157.8
[M+K]+ 223.063208 142.4
[M+H-H2O]+ 167.097310 132.0
[M+HCOO]- 229.098251 164.8
[M+CH3COO]- 243.113901 152.2
[M+Na-2H]- 205.074716 145.4
[M]+ 184.09950142 134.7
[M]- 184.10059858 134.7
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