CID 76846243

6-amino-1h-indazole-3-carbonitrile

Structural Information

Molecular Formula
C8H6N4
SMILES
C1=CC2=C(C=C1N)NN=C2C#N
InChI
InChI=1S/C8H6N4/c9-4-8-6-2-1-5(10)3-7(6)11-12-8/h1-3H,10H2,(H,11,12)
InChIKey
ZVLDCQRHVMPSNI-UHFFFAOYSA-N
Compound name
6-amino-1H-indazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.05925 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06653 133.7
[M+Na]+ 181.04847 145.9
[M-H]- 157.05197 133.6
[M+NH4]+ 176.09307 151.5
[M+K]+ 197.02241 140.6
[M+H-H2O]+ 141.05651 120.0
[M+HCOO]- 203.05745 152.9
[M+CH3COO]- 217.07310 145.5
[M+Na-2H]- 179.03392 140.4
[M]+ 158.05870 127.1
[M]- 158.05980 127.1
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

No patent data available for this compound.