CID 170041

7-methoxy-3,7-dimethyloctan-1-ol

Structural Information

Molecular Formula
C11H24O2
SMILES
CC(CCCC(C)(C)OC)CCO
InChI
InChI=1S/C11H24O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h10,12H,5-9H2,1-4H3
InChIKey
HAGATCKFXSBCCQ-UHFFFAOYSA-N
Compound name
7-methoxy-3,7-dimethyloctan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

30
Patents

188.17763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.184906 148.8
[M+Na]+ 211.166848 153.8
[M-H]- 187.170354 147.1
[M+NH4]+ 206.211453 168.2
[M+K]+ 227.140788 153.1
[M+H-H2O]+ 171.174890 144.3
[M+HCOO]- 233.175831 167.4
[M+CH3COO]- 247.191481 184.8
[M+Na-2H]- 209.152296 152.1
[M]+ 188.17708142 151.9
[M]- 188.17817858 151.9
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