CID 22615267

1-methyl-1h-indazole-6-carbonitrile

Structural Information

Molecular Formula
C9H7N3
SMILES
CN1C2=C(C=CC(=C2)C#N)C=N1
InChI
InChI=1S/C9H7N3/c1-12-9-4-7(5-10)2-3-8(9)6-11-12/h2-4,6H,1H3
InChIKey
WMKXQAVXMOAOAG-UHFFFAOYSA-N
Compound name
1-methylindazole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

157.064 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07128 131.2
[M+Na]+ 180.05322 144.5
[M-H]- 156.05672 132.8
[M+NH4]+ 175.09782 150.4
[M+K]+ 196.02716 139.7
[M+H-H2O]+ 140.06126 117.4
[M+HCOO]- 202.06220 151.3
[M+CH3COO]- 216.07785 144.2
[M+Na-2H]- 178.03867 138.7
[M]+ 157.06345 128.3
[M]- 157.06455 128.3
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