CID 5310645

3-methylcinnolin-5-amine

Structural Information

Molecular Formula
C9H9N3
SMILES
CC1=CC2=C(C=CC=C2N=N1)N
InChI
InChI=1S/C9H9N3/c1-6-5-7-8(10)3-2-4-9(7)12-11-6/h2-5H,10H2,1H3
InChIKey
HOJQDQQMHMVETF-UHFFFAOYSA-N
Compound name
3-methylcinnolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

105
Patents

159.07965 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.086926 131.8
[M+Na]+ 182.068868 142.0
[M-H]- 158.072374 133.8
[M+NH4]+ 177.113473 151.0
[M+K]+ 198.042808 138.4
[M+H-H2O]+ 142.076910 124.6
[M+HCOO]- 204.077851 154.1
[M+CH3COO]- 218.093501 145.4
[M+Na-2H]- 180.054316 141.4
[M]+ 159.07910142 130.7
[M]- 159.08019858 130.7
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