CID 3085485

7-hexadecyne, 16,16-dimethoxy-

Structural Information

Molecular Formula
C18H34O2
SMILES
CCCCCCC#CCCCCCCCC(OC)OC
InChI
InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19-2)20-3/h18H,4-8,11-17H2,1-3H3
InChIKey
FKCMNLGIGILRHT-UHFFFAOYSA-N
Compound name
16,16-dimethoxyhexadec-7-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.2559 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.26318 167.9
[M+Na]+ 305.24512 173.2
[M-H]- 281.24862 166.1
[M+NH4]+ 300.28972 182.6
[M+K]+ 321.21906 170.1
[M+H-H2O]+ 265.25316 155.8
[M+HCOO]- 327.25410 182.5
[M+CH3COO]- 341.26975 210.6
[M+Na-2H]- 303.23057 167.9
[M]+ 282.25535 169.5
[M]- 282.25645 169.5
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.