CID 236366

6,9-dimethyltetradec-7-yne-6,9-diol

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCCC(C)(C#CC(C)(CCCCC)O)O
InChI
InChI=1S/C16H30O2/c1-5-7-9-11-15(3,17)13-14-16(4,18)12-10-8-6-2/h17-18H,5-12H2,1-4H3
InChIKey
FNYZVVKXIJDMPU-UHFFFAOYSA-N
Compound name
6,9-dimethyltetradec-7-yne-6,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

254.22458 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.231856 168.3
[M+Na]+ 277.213798 174.2
[M-H]- 253.217304 164.9
[M+NH4]+ 272.258403 182.8
[M+K]+ 293.187738 170.9
[M+H-H2O]+ 237.221840 158.0
[M+HCOO]- 299.222781 178.7
[M+CH3COO]- 313.238431 200.6
[M+Na-2H]- 275.199246 170.1
[M]+ 254.22403142 165.2
[M]- 254.22512858 165.2
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

patents stripe