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
2
Annotation Hits

0
References

977
Patents

230.22458 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.231856 161.2
[M+Na]+ 253.213798 164.7
[M-H]- 229.217304 158.0
[M+NH4]+ 248.258403 178.2
[M+K]+ 269.187738 163.4
[M+H-H2O]+ 213.221840 157.2
[M+HCOO]- 275.222781 174.8
[M+CH3COO]- 289.238431 192.5
[M+Na-2H]- 251.199246 162.2
[M]+ 230.22403142 162.3
[M]- 230.22512858 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