CID 14913

3,7,8,9-tetramethyldec-4-yne-2,6-diol

Structural Information

Molecular Formula
C14H26O2
SMILES
CC(C)C(C)C(C)C(C#CC(C)C(C)O)O
InChI
InChI=1S/C14H26O2/c1-9(2)11(4)12(5)14(16)8-7-10(3)13(6)15/h9-16H,1-6H3
InChIKey
WWPTYZFXUOTSDY-UHFFFAOYSA-N
Compound name
3,7,8,9-tetramethyldec-4-yne-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.19328 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.200556 159.6
[M+Na]+ 249.182498 164.5
[M-H]- 225.186004 156.2
[M+NH4]+ 244.227103 174.6
[M+K]+ 265.156438 163.1
[M+H-H2O]+ 209.190540 149.0
[M+HCOO]- 271.191481 168.1
[M+CH3COO]- 285.207131 199.4
[M+Na-2H]- 247.167946 154.2
[M]+ 226.19273142 153.2
[M]- 226.19382858 153.2
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.