CID 55263567

1-methyl-4,5,6,7-tetrahydro-1h-indazol-6-one hydrochloride

Structural Information

Molecular Formula
C8H10N2O
SMILES
CN1C2=C(CCC(=O)C2)C=N1
InChI
InChI=1S/C8H10N2O/c1-10-8-4-7(11)3-2-6(8)5-9-10/h5H,2-4H2,1H3
InChIKey
IUBFSVFYJRXNBU-UHFFFAOYSA-N
Compound name
1-methyl-5,7-dihydro-4H-indazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

150.07932 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 129.8
[M+Na]+ 173.06854 139.2
[M-H]- 149.07204 131.8
[M+NH4]+ 168.11314 151.5
[M+K]+ 189.04248 137.0
[M+H-H2O]+ 133.07658 123.2
[M+HCOO]- 195.07752 150.3
[M+CH3COO]- 209.09317 175.2
[M+Na-2H]- 171.05399 135.6
[M]+ 150.07877 128.5
[M]- 150.07987 128.5
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