CID 3020999

Tetradecane-1,2,13,14-tetrol

Structural Information

Molecular Formula
C14H30O4
SMILES
C(CCCCCC(CO)O)CCCCC(CO)O
InChI
InChI=1S/C14H30O4/c15-11-13(17)9-7-5-3-1-2-4-6-8-10-14(18)12-16/h13-18H,1-12H2
InChIKey
SHSYIUNPNAKBKC-UHFFFAOYSA-N
Compound name
tetradecane-1,2,13,14-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

262.21442 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.221696 170.1
[M+Na]+ 285.203638 171.6
[M-H]- 261.207144 163.1
[M+NH4]+ 280.248243 183.8
[M+K]+ 301.177578 168.6
[M+H-H2O]+ 245.211680 164.3
[M+HCOO]- 307.212621 184.0
[M+CH3COO]- 321.228271 190.6
[M+Na-2H]- 283.189086 168.1
[M]+ 262.21387142 171.1
[M]- 262.21496858 171.1
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