CID 20841398

71685-56-8

Structural Information

Molecular Formula
C21H38O2
SMILES
CC/C=C\C=C/CCCCCCCCCCOC1CCCCO1
InChI
InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-21-18-15-17-20-23-21/h3-6,21H,2,7-20H2,1H3/b4-3-,6-5-
InChIKey
BLZLJXKJZUQTPV-OUPQRBNQSA-N
Compound name
2-[(11Z,13Z)-hexadeca-11,13-dienoxy]oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.28717 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.29445 188.2
[M+Na]+ 345.27639 188.1
[M-H]- 321.27989 189.0
[M+NH4]+ 340.32099 200.8
[M+K]+ 361.25033 184.6
[M+H-H2O]+ 305.28443 180.1
[M+HCOO]- 367.28537 204.3
[M+CH3COO]- 381.30102 209.6
[M+Na-2H]- 343.26184 187.9
[M]+ 322.28662 190.1
[M]- 322.28772 190.1
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.