CID 72207509

1363380-95-3

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1C(CC12COC2)CO

InChI

InChI=1S/C7H12O2/c8-3-6-1-7(2-6)4-9-5-7/h6,8H,1-5H2

InChIKey

ZTYBBAUKSKWADO-UHFFFAOYSA-N

Compound name

2-oxaspiro[3.3]heptan-6-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 128.08372 Da
Monoisotopic Mass: 0.0
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]+	129.090996	113.1
[M+Na]+	151.072938	117.6
[M-H]-	127.076444	118.1
[M+NH4]+	146.117543	122.2
[M+K]+	167.046878	123.4
[M+H-H2O]+	111.080980	101.2
[M+HCOO]-	173.081921	130.5
[M+CH3COO]-	187.097571	181.6
[M+Na-2H]-	149.058386	121.7
[M]+	128.08317142	128.2
[M]-	128.08426858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe