CID 11241853

4e,6z,10z-hexadecatrien-1-ol

Structural Information

Molecular Formula
C16H28O
SMILES
CCCCC/C=C\CC/C=C\C=C\CCCO
InChI
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,10-13,17H,2-5,8-9,14-16H2,1H3/b7-6-,11-10-,13-12+
InChIKey
AHUWGXXXQILFPZ-BFMSGXKYSA-N
Compound name
(4E,6Z,10Z)-hexadeca-4,6,10-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

236.21402 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 163.8
[M+Na]+ 259.20324 167.6
[M-H]- 235.20674 161.0
[M+NH4]+ 254.24784 181.2
[M+K]+ 275.17718 162.5
[M+H-H2O]+ 219.21128 158.1
[M+HCOO]- 281.21222 183.7
[M+CH3COO]- 295.22787 192.2
[M+Na-2H]- 257.18869 165.2
[M]+ 236.21347 166.1
[M]- 236.21457 166.1
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

patents stripe