CID 52921782

16:3(2e,10e,12e)(3me,5me[r],7my,15me)

Structural Information

Molecular Formula
C20H32O2
SMILES
C[C@@H](C/C(=C/C(=O)O)/C)CC(=C)CC/C=C/C=C/CC(C)C
InChI
InChI=1S/C20H32O2/c1-16(2)11-9-7-6-8-10-12-17(3)13-18(4)14-19(5)15-20(21)22/h6-9,15-16,18H,3,10-14H2,1-2,4-5H3,(H,21,22)/b8-6+,9-7+,19-15+/t18-/m1/s1
InChIKey
XQIKRXUJLGQAKM-DNIQSHCLSA-N
Compound name
(2E,5R,10E,12E)-3,5,15-trimethyl-7-methylidenehexadeca-2,10,12-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

304.24023 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 182.4
[M+Na]+ 327.22945 184.2
[M-H]- 303.23295 179.4
[M+NH4]+ 322.27405 196.6
[M+K]+ 343.20339 179.7
[M+H-H2O]+ 287.23749 176.6
[M+HCOO]- 349.23843 196.8
[M+CH3COO]- 363.25408 208.4
[M+Na-2H]- 325.21490 175.6
[M]+ 304.23968 183.1
[M]- 304.24078 183.1
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