CID 132260420

2138162-49-7

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC12CC(C1)(CO2)CO

InChI

InChI=1S/C7H12O2/c1-6-2-7(3-6,4-8)5-9-6/h8H,2-5H2,1H3

InChIKey

AXBPIDGDOIYMBX-UHFFFAOYSA-N

Compound name

(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
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	130.0
[M+Na]+	151.072938	137.3
[M-H]-	127.076444	131.2
[M+NH4]+	146.117543	154.7
[M+K]+	167.046878	139.0
[M+H-H2O]+	111.080980	125.3
[M+HCOO]-	173.081921	147.0
[M+CH3COO]-	187.097571	173.5
[M+Na-2H]-	149.058386	140.4
[M]+	128.08317142	143.4
[M]-	128.08426858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe