CID 11121614

67616-77-7

Structural Information

Molecular Formula
C23H40O2
SMILES
CCCC/C=C\CCCCCCCCC#CCCOC1CCCCO1
InChI
InChI=1S/C23H40O2/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/h5-6,23H,2-4,7-14,17-22H2,1H3/b6-5-
InChIKey
IKDNHCGPZFTPQH-WAYWQWQTSA-N
Compound name
2-[(Z)-octadec-13-en-3-ynoxy]oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.30283 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.31011 184.0
[M+Na]+ 371.29205 187.0
[M-H]- 347.29555 183.8
[M+NH4]+ 366.33665 194.6
[M+K]+ 387.26599 181.3
[M+H-H2O]+ 331.30009 170.3
[M+HCOO]- 393.30103 194.9
[M+CH3COO]- 407.31668 218.7
[M+Na-2H]- 369.27750 183.3
[M]+ 348.30228 181.3
[M]- 348.30338 181.3
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.