CID 84715999

{spiro[2.3]hexan-4-yl}methanol

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1CC2(C1CO)CC2

InChI

InChI=1S/C7H12O/c8-5-6-1-2-7(6)3-4-7/h6,8H,1-5H2

InChIKey

STQUWXWGDNPXSX-UHFFFAOYSA-N

Compound name

spiro[2.3]hexan-6-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 112.08881 Da
Monoisotopic Mass: 1.4
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]+	113.096086	120.3
[M+Na]+	135.078028	128.6
[M-H]-	111.081534	126.1
[M+NH4]+	130.122633	133.9
[M+K]+	151.051968	129.9
[M+H-H2O]+	95.086070	111.9
[M+HCOO]-	157.087011	141.0
[M+CH3COO]-	171.102661	173.6
[M+Na-2H]-	133.063476	128.5
[M]+	112.08826142	129.3
[M]-	112.08935858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe