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 173.3
[M+Na]+ 319.26077 178.0
[M-H]- 295.26427 171.3
[M+NH4]+ 314.30537 187.4
[M+K]+ 335.23471 175.0
[M+H-H2O]+ 279.26881 161.0
[M+HCOO]- 341.26975 186.7
[M+CH3COO]- 355.28540 214.0
[M+Na-2H]- 317.24622 171.6
[M]+ 296.27100 174.6
[M]- 296.27210 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.