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]+ 297.27883 172.8
[M+Na]+ 319.26077 180.6
[M+NH4]+ 314.30537 175.3
[M+K]+ 335.23471 170.8
[M-H]- 295.26427 163.8
[M+Na-2H]- 317.24622 170.9
[M]+ 296.27100 170.3
[M]- 296.27210 170.3
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.