CID 137926

3419-66-7

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CC(C)(C)C1=CCCCC1

InChI

InChI=1S/C10H18/c1-10(2,3)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3

InChIKey

GQBKAYONUCKYKT-UHFFFAOYSA-N

Compound name

1-tert-butylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 424
Patents: 138.14085 Da
Monoisotopic Mass: 3.7
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]+	139.148126	131.8
[M+Na]+	161.130068	137.3
[M-H]-	137.133574	134.9
[M+NH4]+	156.174673	153.7
[M+K]+	177.104008	136.2
[M+H-H2O]+	121.138110	127.0
[M+HCOO]-	183.139051	151.6
[M+CH3COO]-	197.154701	174.9
[M+Na-2H]-	159.115516	138.2
[M]+	138.14030142	128.7
[M]-	138.14139858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe