CID 85769

14774-36-8

Structural Information

Molecular Formula
C6H12O2
SMILES
C1CC(COC1)CO
InChI
InChI=1S/C6H12O2/c7-4-6-2-1-3-8-5-6/h6-7H,1-5H2
InChIKey
VFTQJKSRDCKVQA-UHFFFAOYSA-N
Compound name
oxan-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

407
Patents

116.08373 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 122.7
[M+Na]+ 139.07295 127.8
[M-H]- 115.07645 124.9
[M+NH4]+ 134.11755 143.1
[M+K]+ 155.04689 128.5
[M+H-H2O]+ 99.080990 117.8
[M+HCOO]- 161.08193 142.0
[M+CH3COO]- 175.09758 164.6
[M+Na-2H]- 137.05840 130.1
[M]+ 116.08318 118.8
[M]- 116.08428 118.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.