CID 162053

3,7-dimethyl-7-methoxyoctan-2-ol

Structural Information

Molecular Formula
C11H24O2
SMILES
CC(CCCC(C)(C)OC)C(C)O
InChI
InChI=1S/C11H24O2/c1-9(10(2)12)7-6-8-11(3,4)13-5/h9-10,12H,6-8H2,1-5H3
InChIKey
ZJVRYPHKSDHLTC-UHFFFAOYSA-N
Compound name
7-methoxy-3,7-dimethyloctan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

2156
Patents

188.17763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.184906 148.5
[M+Na]+ 211.166848 153.3
[M-H]- 187.170354 147.0
[M+NH4]+ 206.211453 167.9
[M+K]+ 227.140788 153.1
[M+H-H2O]+ 171.174890 144.1
[M+HCOO]- 233.175831 166.2
[M+CH3COO]- 247.191481 185.6
[M+Na-2H]- 209.152296 150.6
[M]+ 188.17708142 150.9
[M]- 188.17817858 150.9
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