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 160.1
[M+Na]+ 277.21380 166.1
[M-H]- 253.21730 158.6
[M+NH4]+ 272.25840 175.8
[M+K]+ 293.18774 163.5
[M+H-H2O]+ 237.22184 148.3
[M+HCOO]- 299.22278 175.3
[M+CH3COO]- 313.23843 205.3
[M+Na-2H]- 275.19925 161.0
[M]+ 254.22403 161.0
[M]- 254.22513 161.0
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.