CID 117134

5-tetradecyne, 14,14-dimethoxy-

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCC#CCCCCCCCC(OC)OC
InChI
InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(17-2)18-3/h16H,4-6,9-15H2,1-3H3
InChIKey
AZYAQNJSVUMBBD-UHFFFAOYSA-N
Compound name
14,14-dimethoxytetradec-5-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.22458 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 161.1
[M+Na]+ 277.21380 169.7
[M+NH4]+ 272.25840 164.1
[M+K]+ 293.18774 159.8
[M-H]- 253.21730 152.4
[M+Na-2H]- 275.19925 160.2
[M]+ 254.22403 158.8
[M]- 254.22513 158.8
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.