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]+ 158.071276 132.8
[M+Na]+ 180.053218 145.6
[M-H]- 156.056724 133.1
[M+NH4]+ 175.097823 151.3
[M+K]+ 196.027158 140.1
[M+H-H2O]+ 140.061260 119.2
[M+HCOO]- 202.062201 151.4
[M+CH3COO]- 216.077851 145.1
[M+Na-2H]- 178.038666 139.7
[M]+ 157.06345142 128.1
[M]- 157.06454858 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