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
2
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 165.8
[M+Na]+ 285.20364 168.6
[M-H]- 261.20714 159.9
[M+NH4]+ 280.24824 179.9
[M+K]+ 301.17758 167.4
[M+H-H2O]+ 245.21168 162.5
[M+HCOO]- 307.21262 175.3
[M+CH3COO]- 321.22827 192.3
[M+Na-2H]- 283.18909 167.4
[M]+ 262.21387 165.4
[M]- 262.21497 165.4
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.