CID 91997036

115636-78-7

Structural Information

Molecular Formula
C14H30O4
SMILES
CC(C)C(CC(C)(O)O)C(C)(C)CCC(C)(O)O
InChI
InChI=1S/C14H30O4/c1-10(2)11(9-14(6,17)18)12(3,4)7-8-13(5,15)16/h10-11,15-18H,7-9H2,1-6H3
InChIKey
XBFBBUKCPICACJ-UHFFFAOYSA-N
Compound name
5,5-dimethyl-4-propan-2-ylnonane-2,2,8,8-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.21442 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.22170 164.9
[M+Na]+ 285.20364 169.1
[M+NH4]+ 280.24824 168.2
[M+K]+ 301.17758 169.2
[M-H]- 261.20714 158.6
[M+Na-2H]- 283.18909 162.9
[M]+ 262.21387 163.3
[M]- 262.21497 163.3
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

No patent data available for this compound.