CID 3085527

8-hexadecyne, 1,1-dimethoxy-14-methyl-

Structural Information

Molecular Formula
C19H36O2
SMILES
CC[C@@H](C)CCCCC#CCCCCCCC(OC)OC
InChI
InChI=1S/C19H36O2/c1-5-18(2)16-14-12-10-8-6-7-9-11-13-15-17-19(20-3)21-4/h18-19H,5,7,9-17H2,1-4H3/t18-/m1/s1
InChIKey
CHUDCFHFRGFLQT-GOSISDBHSA-N
Compound name
(14R)-1,1-dimethoxy-14-methylhexadec-8-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.27155 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.278826 173.3
[M+Na]+ 319.260768 178.0
[M-H]- 295.264274 171.3
[M+NH4]+ 314.305373 187.4
[M+K]+ 335.234708 175.0
[M+H-H2O]+ 279.268810 161.0
[M+HCOO]- 341.269751 186.7
[M+CH3COO]- 355.285401 214.0
[M+Na-2H]- 317.246216 171.6
[M]+ 296.27100142 174.6
[M]- 296.27209858 174.6
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.