CID 21832430

4-(4-aminophenyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C12H13N3
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)N)N)N
InChI
InChI=1S/C12H13N3/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H,13-15H2
InChIKey
RVYIVHUVZXDTGN-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

199.11095 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 143.2
[M+Na]+ 222.10017 151.2
[M-H]- 198.10367 149.4
[M+NH4]+ 217.14477 161.2
[M+K]+ 238.07411 146.6
[M+H-H2O]+ 182.10821 136.1
[M+HCOO]- 244.10915 169.5
[M+CH3COO]- 258.12480 192.6
[M+Na-2H]- 220.08562 148.2
[M]+ 199.11040 137.8
[M]- 199.11150 137.8
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