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]+ 263.221696 165.8
[M+Na]+ 285.203638 168.6
[M-H]- 261.207144 159.9
[M+NH4]+ 280.248243 179.9
[M+K]+ 301.177578 167.4
[M+H-H2O]+ 245.211680 162.5
[M+HCOO]- 307.212621 175.3
[M+CH3COO]- 321.228271 192.3
[M+Na-2H]- 283.189086 167.4
[M]+ 262.21387142 165.4
[M]- 262.21496858 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.