CID 17799104

Tetrahydroindazole

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

C1C2C=CC=CC2NN1

InChI

InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h1-4,6-9H,5H2

InChIKey

CSDFHCDNAZPVKH-UHFFFAOYSA-N

Compound name

2,3,3a,7a-tetrahydro-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1276
Patents: 122.0844 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]+	123.09168	124.4
[M+Na]+	145.07362	131.3
[M-H]-	121.07712	123.0
[M+NH4]+	140.11822	145.3
[M+K]+	161.04756	127.7
[M+H-H2O]+	105.08166	118.0
[M+HCOO]-	167.08260	141.8
[M+CH3COO]-	181.09825	136.6
[M+Na-2H]-	143.05907	131.3
[M]+	122.08385	117.6
[M]-	122.08495	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe