CID 57561759

856257-28-8

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC(C)C1CCC2=C(C1)C(=NN2)C(=O)O

InChI

InChI=1S/C11H16N2O2/c1-6(2)7-3-4-9-8(5-7)10(11(14)15)13-12-9/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)

InChIKey

BOKPNZAWVOVNEK-UHFFFAOYSA-N

Compound name

5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 208.12119 Da
Monoisotopic Mass: 2.4
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]+	209.128466	148.3
[M+Na]+	231.110408	154.8
[M-H]-	207.113914	147.2
[M+NH4]+	226.155013	166.0
[M+K]+	247.084348	151.7
[M+H-H2O]+	191.118450	141.9
[M+HCOO]-	253.119391	162.9
[M+CH3COO]-	267.135041	183.0
[M+Na-2H]-	229.095856	149.3
[M]+	208.12064142	144.6
[M]-	208.12173858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe