CID 81900

1h-indazole-5,6-diamine

Structural Information

Molecular Formula
C7H8N4
SMILES
C1=C2C=NNC2=CC(=C1N)N
InChI
InChI=1S/C7H8N4/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,8-9H2,(H,10,11)
InChIKey
QJPUNSUXMNSPCN-UHFFFAOYSA-N
Compound name
1H-indazole-5,6-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

103
Patents

148.07489 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 126.2
[M+Na]+ 171.064108 136.9
[M-H]- 147.067614 127.2
[M+NH4]+ 166.108713 146.5
[M+K]+ 187.038048 132.6
[M+H-H2O]+ 131.072150 119.6
[M+HCOO]- 193.073091 150.4
[M+CH3COO]- 207.088741 140.0
[M+Na-2H]- 169.049556 134.3
[M]+ 148.07434142 123.2
[M]- 148.07543858 123.2
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