CID 225155

2,4,7,9-tetramethyldecane-4,7-diol

Structural Information

Molecular Formula
C14H30O2
SMILES
CC(C)CC(C)(CCC(C)(CC(C)C)O)O
InChI
InChI=1S/C14H30O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,7-10H2,1-6H3
InChIKey
BTRWELPXUDWAGW-UHFFFAOYSA-N
Compound name
2,4,7,9-tetramethyldecane-4,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1063
Patents

230.22458 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.23186 161.2
[M+Na]+ 253.21380 164.7
[M-H]- 229.21730 158.0
[M+NH4]+ 248.25840 178.2
[M+K]+ 269.18774 163.4
[M+H-H2O]+ 213.22184 157.2
[M+HCOO]- 275.22278 174.8
[M+CH3COO]- 289.23843 192.5
[M+Na-2H]- 251.19925 162.2
[M]+ 230.22403 162.3
[M]- 230.22513 162.3
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