CID 3085524

3-tetradecyne, 14,14-dimethoxy-

Structural Information

Molecular Formula
C16H30O2
SMILES
CCC#CCCCCCCCCCC(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,4,7-15H2,1-3H3
InChIKey
BBSSIKMLZWQKBW-UHFFFAOYSA-N
Compound name
14,14-dimethoxytetradec-3-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]+ 255.231856 160.1
[M+Na]+ 277.213798 166.1
[M-H]- 253.217304 158.6
[M+NH4]+ 272.258403 175.8
[M+K]+ 293.187738 163.5
[M+H-H2O]+ 237.221840 148.3
[M+HCOO]- 299.222781 175.3
[M+CH3COO]- 313.238431 205.3
[M+Na-2H]- 275.199246 161.0
[M]+ 254.22403142 161.0
[M]- 254.22512858 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.