CID 86174391

2,6-dimethyl-2,7-octanediol

Structural Information

Molecular Formula
C10H22O2
SMILES
CC(CCCC(C)(C)O)C(C)O
InChI
InChI=1S/C10H22O2/c1-8(9(2)11)6-5-7-10(3,4)12/h8-9,11-12H,5-7H2,1-4H3
InChIKey
JSJXUIDIPBOSCT-UHFFFAOYSA-N
Compound name
2,6-dimethyloctane-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.16199 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.16927 143.1
[M+Na]+ 197.15121 150.9
[M+NH4]+ 192.19581 149.6
[M+K]+ 213.12515 147.5
[M-H]- 173.15471 140.5
[M+Na-2H]- 195.13666 144.3
[M]+ 174.16144 143.2
[M]- 174.16254 143.2
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.