CID 137952140

2-(3-methylidenecyclobutyl)ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C=C1CC(C1)CCO

InChI

InChI=1S/C7H12O/c1-6-4-7(5-6)2-3-8/h7-8H,1-5H2

InChIKey

GDICASBXSIWYSB-UHFFFAOYSA-N

Compound name

2-(3-methylidenecyclobutyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 112.08881 Da
Monoisotopic Mass: 0.9
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]+	113.09609	121.0
[M+Na]+	135.07803	127.0
[M-H]-	111.08153	123.3
[M+NH4]+	130.12263	136.9
[M+K]+	151.05197	128.5
[M+H-H2O]+	95.086070	111.9
[M+HCOO]-	157.08701	141.8
[M+CH3COO]-	171.10266	171.5
[M+Na-2H]-	133.06348	126.3
[M]+	112.08826	127.7
[M]-	112.08936	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.