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

4
Patents

174.16199 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.169266 144.7
[M+Na]+ 197.151208 149.4
[M-H]- 173.154714 141.9
[M+NH4]+ 192.195813 163.8
[M+K]+ 213.125148 148.6
[M+H-H2O]+ 157.159250 140.7
[M+HCOO]- 219.160191 161.1
[M+CH3COO]- 233.175841 179.9
[M+Na-2H]- 195.136656 146.7
[M]+ 174.16144142 144.7
[M]- 174.16253858 144.7
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