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 144.7
[M+Na]+ 197.15121 149.4
[M-H]- 173.15471 141.9
[M+NH4]+ 192.19581 163.8
[M+K]+ 213.12515 148.6
[M+H-H2O]+ 157.15925 140.7
[M+HCOO]- 219.16019 161.1
[M+CH3COO]- 233.17584 179.9
[M+Na-2H]- 195.13666 146.7
[M]+ 174.16144 144.7
[M]- 174.16254 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