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]+ 283.263176 167.9
[M+Na]+ 305.245118 173.2
[M-H]- 281.248624 166.1
[M+NH4]+ 300.289723 182.6
[M+K]+ 321.219058 170.1
[M+H-H2O]+ 265.253160 155.8
[M+HCOO]- 327.254101 182.5
[M+CH3COO]- 341.269751 210.6
[M+Na-2H]- 303.230566 167.9
[M]+ 282.25535142 169.5
[M]- 282.25644858 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.