CID 13614302

89897-18-7

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1CC2C(CC1O2)CO

InChI

InChI=1S/C7H12O2/c8-4-5-3-6-1-2-7(5)9-6/h5-8H,1-4H2

InChIKey

VCNMKDHFISMVQL-UHFFFAOYSA-N

Compound name

7-oxabicyclo[2.2.1]heptan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 128.08372 Da
Monoisotopic Mass: 0.4
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]+	129.09100	125.7
[M+Na]+	151.07294	133.0
[M-H]-	127.07644	127.9
[M+NH4]+	146.11754	151.1
[M+K]+	167.04688	132.7
[M+H-H2O]+	111.08098	122.5
[M+HCOO]-	173.08192	145.7
[M+CH3COO]-	187.09757	168.0
[M+Na-2H]-	149.05839	131.2
[M]+	128.08317	124.8
[M]-	128.08427	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe