CID 21787796

82071-77-0

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1CCC2=C(C1)C(=NN2)CO

InChI

InChI=1S/C8H12N2O/c11-5-8-6-3-1-2-4-7(6)9-10-8/h11H,1-5H2,(H,9,10)

InChIKey

YDGUUCNXPYWJSQ-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-1H-indazol-3-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 152.09496 Da
Monoisotopic Mass: 0.6
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	132.2
[M+Na]+	175.08418	139.4
[M-H]-	151.08768	130.9
[M+NH4]+	170.12878	152.1
[M+K]+	191.05812	136.1
[M+H-H2O]+	135.09222	125.7
[M+HCOO]-	197.09316	149.4
[M+CH3COO]-	211.10881	144.1
[M+Na-2H]-	173.06963	137.7
[M]+	152.09441	127.5
[M]-	152.09551	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe