CID 87408133

10z,12e-hexadecadienoic acid

Structural Information

Molecular Formula
C16H28O2
SMILES
CCC/C=C\C=C\CCCCCCCCC(=O)O
InChI
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-7H,2-3,8-15H2,1H3,(H,17,18)/b5-4-,7-6+
InChIKey
POHNQQRJOMLPNT-SCFJQAPRSA-N
Compound name
(10E,12Z)-hexadeca-10,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

7
Patents

252.20892 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 167.4
[M+Na]+ 275.19814 170.9
[M-H]- 251.20164 164.7
[M+NH4]+ 270.24274 184.0
[M+K]+ 291.17208 166.7
[M+H-H2O]+ 235.20618 161.5
[M+HCOO]- 297.20712 186.6
[M+CH3COO]- 311.22277 195.5
[M+Na-2H]- 273.18359 167.5
[M]+ 252.20837 170.6
[M]- 252.20947 170.6
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