CID 112490

7-methoxy-3,7-dimethyloctane-1,2-diol

Structural Information

Molecular Formula
C11H24O3
SMILES
CC(CCCC(C)(C)OC)C(CO)O
InChI
InChI=1S/C11H24O3/c1-9(10(13)8-12)6-5-7-11(2,3)14-4/h9-10,12-13H,5-8H2,1-4H3
InChIKey
IABAOBVWYBZJEZ-UHFFFAOYSA-N
Compound name
7-methoxy-3,7-dimethyloctane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

204.17255 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.17983 152.3
[M+Na]+ 227.16177 156.5
[M-H]- 203.16527 149.2
[M+NH4]+ 222.20637 170.1
[M+K]+ 243.13571 156.0
[M+H-H2O]+ 187.16981 147.8
[M+HCOO]- 249.17075 168.6
[M+CH3COO]- 263.18640 185.0
[M+Na-2H]- 225.14722 153.9
[M]+ 204.17200 154.2
[M]- 204.17310 154.2
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