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: 7
Patents: 152.09496 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.10224	131.6
[M+Na]+	175.08418	143.2
[M+NH4]+	170.12878	140.3
[M+K]+	191.05812	139.2
[M-H]-	151.08768	132.2
[M+Na-2H]-	173.06963	135.9
[M]+	152.09441	133.2
[M]-	152.09551	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe