CID 12073583

5,8-dioxaspiro[3.4]octane-2-methanol

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

C1COC2(O1)CC(C2)CO

InChI

InChI=1S/C7H12O3/c8-5-6-3-7(4-6)9-1-2-10-7/h6,8H,1-5H2

InChIKey

LJVOOONKTBAYNA-UHFFFAOYSA-N

Compound name

5,8-dioxaspiro[3.4]octan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 144.07864 Da
Monoisotopic Mass: -0.3
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]+	145.085916	119.2
[M+Na]+	167.067858	124.5
[M-H]-	143.071364	124.8
[M+NH4]+	162.112463	134.9
[M+K]+	183.041798	128.9
[M+H-H2O]+	127.075900	111.4
[M+HCOO]-	189.076841	137.9
[M+CH3COO]-	203.092491	171.5
[M+Na-2H]-	165.053306	127.7
[M]+	144.07809142	126.8
[M]-	144.07918858	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe