CID 14913

1333-17-1

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
2
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]+ 227.20056 159.6
[M+Na]+ 249.18250 164.5
[M-H]- 225.18600 156.2
[M+NH4]+ 244.22710 174.6
[M+K]+ 265.15644 163.1
[M+H-H2O]+ 209.19054 149.0
[M+HCOO]- 271.19148 168.1
[M+CH3COO]- 285.20713 199.4
[M+Na-2H]- 247.16795 154.2
[M]+ 226.19273 153.2
[M]- 226.19383 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.