CID 85626179

6-methoxy-2,6-dimethylheptan-2-ol

Structural Information

Molecular Formula
C10H22O2
SMILES
CC(C)(CCCC(C)(C)OC)O
InChI
InChI=1S/C10H22O2/c1-9(2,11)7-6-8-10(3,4)12-5/h11H,6-8H2,1-5H3
InChIKey
XDXNXMVVAVGUNV-UHFFFAOYSA-N
Compound name
6-methoxy-2,6-dimethylheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.16199 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.169266 143.3
[M+Na]+ 197.151208 149.4
[M-H]- 173.154714 142.1
[M+NH4]+ 192.195813 163.4
[M+K]+ 213.125148 149.0
[M+H-H2O]+ 157.159250 139.7
[M+HCOO]- 219.160191 161.7
[M+CH3COO]- 233.175841 181.4
[M+Na-2H]- 195.136656 149.3
[M]+ 174.16144142 146.2
[M]- 174.16253858 146.2
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.