CID 10609771

13z-hexadecen-11-ynal

Structural Information

Molecular Formula
C16H26O
SMILES
CC/C=C\C#CCCCCCCCCCC=O
InChI
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-4,16H,2,7-15H2,1H3/b4-3-
InChIKey
JZWLAADUVSGHNW-ARJAWSKDSA-N
Compound name
(Z)-hexadec-13-en-11-ynal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

234.19836 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 155.9
[M+Na]+ 257.18758 162.8
[M-H]- 233.19108 154.5
[M+NH4]+ 252.23218 172.3
[M+K]+ 273.16152 158.2
[M+H-H2O]+ 217.19562 144.4
[M+HCOO]- 279.19656 172.1
[M+CH3COO]- 293.21221 200.8
[M+Na-2H]- 255.17303 157.9
[M]+ 234.19781 154.8
[M]- 234.19891 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe