CID 10909577

{bicyclo[4.1.0]heptan-1-yl}methanol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CCC2(CC2C1)CO

InChI

InChI=1S/C8H14O/c9-6-8-4-2-1-3-7(8)5-8/h7,9H,1-6H2

InChIKey

PCJSMYIXEWHDDF-UHFFFAOYSA-N

Compound name

1-bicyclo[4.1.0]heptanylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 126.10446 Da
Monoisotopic Mass: 1.8
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]+	127.11174	128.6
[M+Na]+	149.09368	140.9
[M+NH4]+	144.13828	140.4
[M+K]+	165.06762	134.2
[M-H]-	125.09718	137.6
[M+Na-2H]-	147.07913	137.4
[M]+	126.10391	134.1
[M]-	126.10501	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe