CID 13836898

1-methyl-4,5,6,7-tetrahydro-1h-indazol-4-ol

Structural Information

Molecular Formula
C8H12N2O
SMILES
CN1C2=C(C=N1)C(CCC2)O
InChI
InChI=1S/C8H12N2O/c1-10-7-3-2-4-8(11)6(7)5-9-10/h5,8,11H,2-4H2,1H3
InChIKey
ZMTBCFICMIVLDB-UHFFFAOYSA-N
Compound name
1-methyl-4,5,6,7-tetrahydroindazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

152.09496 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 131.7
[M+Na]+ 175.084178 140.3
[M-H]- 151.087684 132.2
[M+NH4]+ 170.128783 152.7
[M+K]+ 191.058118 137.9
[M+H-H2O]+ 135.092220 125.3
[M+HCOO]- 197.093161 150.5
[M+CH3COO]- 211.108811 173.4
[M+Na-2H]- 173.069626 137.0
[M]+ 152.09441142 129.3
[M]- 152.09550858 129.3
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