CID 71777872

Spiro[3.3]heptan-2-ylmethanol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CC2(C1)CC(C2)CO

InChI

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

InChIKey

GYVSAPVZLUZCBL-UHFFFAOYSA-N

Compound name

spiro[3.3]heptan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
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	130.0
[M+Na]+	149.09368	131.3
[M+NH4]+	144.13828	132.5
[M+K]+	165.06762	128.2
[M-H]-	125.09718	126.9
[M+Na-2H]-	147.07913	131.5
[M]+	126.10391	127.1
[M]-	126.10501	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe