CID 15312146

4-(methoxymethyl)oxan-4-ol

Structural Information

Molecular Formula
C7H14O3
SMILES
COCC1(CCOCC1)O
InChI
InChI=1S/C7H14O3/c1-9-6-7(8)2-4-10-5-3-7/h8H,2-6H2,1H3
InChIKey
CRSPJCFMKRAQIC-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

146.0943 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 129.8
[M+Na]+ 169.083518 135.4
[M-H]- 145.087024 132.2
[M+NH4]+ 164.128123 151.0
[M+K]+ 185.057458 136.5
[M+H-H2O]+ 129.091560 125.3
[M+HCOO]- 191.092501 149.0
[M+CH3COO]- 205.108151 169.3
[M+Na-2H]- 167.068966 137.9
[M]+ 146.09375142 128.1
[M]- 146.09484858 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe