CID 68652458

102628-95-5

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1CC2C(C2OC1)CO

InChI

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

InChIKey

HPEMQBFOENIWMH-UHFFFAOYSA-N

Compound name

2-oxabicyclo[4.1.0]heptan-7-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 128.08372 Da
Monoisotopic Mass: 0.2
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	125.1
[M+Na]+	151.072938	134.0
[M-H]-	127.076444	129.8
[M+NH4]+	146.117543	141.7
[M+K]+	167.046878	133.0
[M+H-H2O]+	111.080980	119.7
[M+HCOO]-	173.081921	143.9
[M+CH3COO]-	187.097571	172.7
[M+Na-2H]-	149.058386	133.3
[M]+	128.08317142	126.1
[M]-	128.08426858	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe