CID 22933530

4-methyl-1h-indazole-5-carbonitrile

Structural Information

Molecular Formula
C9H7N3
SMILES
CC1=C(C=CC2=C1C=NN2)C#N
InChI
InChI=1S/C9H7N3/c1-6-7(4-10)2-3-9-8(6)5-11-12-9/h2-3,5H,1H3,(H,11,12)
InChIKey
JZFGGTZDIPNTFM-UHFFFAOYSA-N
Compound name
4-methyl-1H-indazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

157.064 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07128 132.8
[M+Na]+ 180.05322 145.6
[M-H]- 156.05672 133.1
[M+NH4]+ 175.09782 151.3
[M+K]+ 196.02716 140.1
[M+H-H2O]+ 140.06126 119.2
[M+HCOO]- 202.06220 151.4
[M+CH3COO]- 216.07785 145.1
[M+Na-2H]- 178.03867 139.7
[M]+ 157.06345 128.1
[M]- 157.06455 128.1
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

patents stripe