CID 5312543

Juniperonic acid

Structural Information

Molecular Formula
C20H32O2
SMILES
CC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCC(=O)O
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,16-15-
InChIKey
JDKIKEYFSJUYJZ-OUJQXAOTSA-N
Compound name
(5Z,11Z,14Z,17Z)-icosa-5,11,14,17-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

393
Patents

304.24023 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 183.2
[M+Na]+ 327.22945 190.3
[M+NH4]+ 322.27405 187.2
[M+K]+ 343.20339 181.7
[M-H]- 303.23295 180.2
[M+Na-2H]- 325.21490 182.1
[M]+ 304.23968 182.8
[M]- 304.24078 182.8
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