CID 3085567

2-((3,13-octadecadiynyl)oxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula
C23H38O2
SMILES
CCCCC#CCCCCCCCCC#CCCO[C@@H]1CCCCO1
InChI
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-23-20-17-19-22-25-23/h23H,2-4,7-14,17-22H2,1H3/t23-/m0/s1
InChIKey
BOTGQZVOHJCGAU-QHCPKHFHSA-N
Compound name
(2R)-2-octadeca-3,13-diynoxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.28717 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.29445 175.6
[M+Na]+ 369.27639 181.5
[M-H]- 345.27989 176.4
[M+NH4]+ 364.32099 183.8
[M+K]+ 385.25033 175.3
[M+H-H2O]+ 329.28443 160.4
[M+HCOO]- 391.28537 180.8
[M+CH3COO]- 405.30102 228.2
[M+Na-2H]- 367.26184 174.5
[M]+ 346.28662 169.3
[M]- 346.28772 169.3
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.