CID 12651699

6-methoxyhexan-1-ol

Structural Information

Molecular Formula
C7H16O2
SMILES
COCCCCCCO
InChI
InChI=1S/C7H16O2/c1-9-7-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKey
CROLBRYGLOVQCD-UHFFFAOYSA-N
Compound name
6-methoxyhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1461
Patents

132.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.12232 130.1
[M+Na]+ 155.10426 136.5
[M-H]- 131.10776 128.8
[M+NH4]+ 150.14886 151.7
[M+K]+ 171.07820 136.1
[M+H-H2O]+ 115.11230 125.6
[M+HCOO]- 177.11324 152.6
[M+CH3COO]- 191.12889 171.5
[M+Na-2H]- 153.08971 136.2
[M]+ 132.11449 132.8
[M]- 132.11559 132.8
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