CID 12663943

Quinoline-7,8-diamine

Structural Information

Molecular Formula
C9H9N3
SMILES
C1=CC2=C(C(=C(C=C2)N)N)N=C1
InChI
InChI=1S/C9H9N3/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h1-5H,10-11H2
InChIKey
UUCNOUOCQLCWFP-UHFFFAOYSA-N
Compound name
quinoline-7,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

159.07965 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.086926 130.5
[M+Na]+ 182.068868 139.7
[M-H]- 158.072374 133.4
[M+NH4]+ 177.113473 150.4
[M+K]+ 198.042808 136.0
[M+H-H2O]+ 142.076910 123.9
[M+HCOO]- 204.077851 154.6
[M+CH3COO]- 218.093501 144.1
[M+Na-2H]- 180.054316 139.4
[M]+ 159.07910142 127.2
[M]- 159.08019858 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe