CID 13616

1,1-dimethoxycyclohexane

Structural Information

Molecular Formula
C8H16O2
SMILES
COC1(CCCCC1)OC
InChI
InChI=1S/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2H3
InChIKey
XPIJMQVLTXAGME-UHFFFAOYSA-N
Compound name
1,1-dimethoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2582
Patents

144.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 131.2
[M+Na]+ 167.10426 136.8
[M-H]- 143.10776 134.3
[M+NH4]+ 162.14886 154.5
[M+K]+ 183.07820 137.2
[M+H-H2O]+ 127.11230 126.5
[M+HCOO]- 189.11324 152.3
[M+CH3COO]- 203.12889 173.0
[M+Na-2H]- 165.08971 138.1
[M]+ 144.11449 129.7
[M]- 144.11559 129.7
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