CID 1382021

7-methyl-5-nitro-1h-indazole

Structural Information

Molecular Formula
C8H7N3O2
SMILES
CC1=CC(=CC2=C1NN=C2)[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O2/c1-5-2-7(11(12)13)3-6-4-9-10-8(5)6/h2-4H,1H3,(H,9,10)
InChIKey
JOJIHKJWRAFXSC-UHFFFAOYSA-N
Compound name
7-methyl-5-nitro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

177.05383 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 131.8
[M+Na]+ 200.04305 141.9
[M+NH4]+ 195.08765 133.7
[M+K]+ 216.01699 151.0
[M-H]- 176.04655 134.7
[M+Na-2H]- 198.02850 129.9
[M]+ 177.05328 155.9
[M]- 177.05438 171.7
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