CID 54359825

149882-05-3

Structural Information

Molecular Formula
C17H24O4
SMILES
CC=CC(C=CC)(C(=O)O)C(C=CC)(C=CC)C(=O)OC
InChI
InChI=1S/C17H24O4/c1-6-10-16(11-7-2,14(18)19)17(12-8-3,13-9-4)15(20)21-5/h6-13H,1-5H3,(H,18,19)
InChIKey
ULSQQMGMCDEPFA-UHFFFAOYSA-N
Compound name
3-methoxycarbonyl-2,2,3-tris(prop-1-enyl)hex-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

292.16745 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 172.6
[M+Na]+ 315.15667 178.5
[M+NH4]+ 310.20127 175.2
[M+K]+ 331.13061 175.1
[M-H]- 291.16017 166.9
[M+Na-2H]- 313.14212 171.0
[M]+ 292.16690 171.2
[M]- 292.16800 171.2
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