CID 58887274

1-(propan-2-yl)cyclobutan-1-ol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC(C)C1(CCC1)O

InChI

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

InChIKey

QCLSNAOXCWQKHC-UHFFFAOYSA-N

Compound name

1-propan-2-ylcyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 114.10446 Da
Monoisotopic Mass: 1.6
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]+	115.11174	125.0
[M+Na]+	137.09368	130.8
[M+NH4]+	132.13828	131.3
[M+K]+	153.06762	126.0
[M-H]-	113.09718	123.3
[M+Na-2H]-	135.07913	128.7
[M]+	114.10391	124.2
[M]-	114.10501	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe