CID 3024049

7-methoxy-3,7-dimethyloctan-3-ol

Structural Information

Molecular Formula
C11H24O2
SMILES
CCC(C)(CCCC(C)(C)OC)O
InChI
InChI=1S/C11H24O2/c1-6-11(4,12)9-7-8-10(2,3)13-5/h12H,6-9H2,1-5H3
InChIKey
GOQKULHUGPFFMU-UHFFFAOYSA-N
Compound name
7-methoxy-3,7-dimethyloctan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

188.17763 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.184906 148.0
[M+Na]+ 211.166848 153.6
[M-H]- 187.170354 146.6
[M+NH4]+ 206.211453 167.6
[M+K]+ 227.140788 153.0
[M+H-H2O]+ 171.174890 144.1
[M+HCOO]- 233.175831 166.0
[M+CH3COO]- 247.191481 184.4
[M+Na-2H]- 209.152296 153.5
[M]+ 188.17708142 151.2
[M]- 188.17817858 151.2
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

patents stripe