CID 139456

1-methyl-1h-indazole

Structural Information

Molecular Formula
C8H8N2
SMILES
CN1C2=CC=CC=C2C=N1
InChI
InChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H3
InChIKey
CSUGQXMRKOKBFI-UHFFFAOYSA-N
Compound name
1-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3636
Patents

132.06874 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 122.7
[M+Na]+ 155.05796 134.1
[M-H]- 131.06146 125.4
[M+NH4]+ 150.10256 145.3
[M+K]+ 171.03190 131.4
[M+H-H2O]+ 115.06600 116.1
[M+HCOO]- 177.06694 147.2
[M+CH3COO]- 191.08259 138.0
[M+Na-2H]- 153.04341 132.4
[M]+ 132.06819 124.7
[M]- 132.06929 124.7
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