CID 53997645

2-cyclobutylpropan-1-ol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC(CO)C1CCC1

InChI

InChI=1S/C7H14O/c1-6(5-8)7-3-2-4-7/h6-8H,2-5H2,1H3

InChIKey

KXVVMLKYZIOIFO-UHFFFAOYSA-N

Compound name

2-cyclobutylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 114.10446 Da
Monoisotopic Mass: 2.0
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]+	115.11174	124.3
[M+Na]+	137.09368	129.9
[M+NH4]+	132.13828	129.2
[M+K]+	153.06762	126.8
[M-H]-	113.09718	122.6
[M+Na-2H]-	135.07913	126.5
[M]+	114.10391	123.3
[M]-	114.10501	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe