CID 60109340

1-tert-butyl-1h-indazole

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CC(C)(C)N1C2=CC=CC=C2C=N1

InChI

InChI=1S/C11H14N2/c1-11(2,3)13-10-7-5-4-6-9(10)8-12-13/h4-8H,1-3H3

InChIKey

IEOHCKVBTVEQDA-UHFFFAOYSA-N

Compound name

1-tert-butylindazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 174.11569 Da
Monoisotopic Mass: 2.6
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]+	175.12297	138.5
[M+Na]+	197.10491	149.1
[M-H]-	173.10841	141.2
[M+NH4]+	192.14951	159.7
[M+K]+	213.07885	146.1
[M+H-H2O]+	157.11295	132.0
[M+HCOO]-	219.11389	160.4
[M+CH3COO]-	233.12954	180.7
[M+Na-2H]-	195.09036	147.1
[M]+	174.11514	141.0
[M]-	174.11624	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe