CID 20164272

149882-05-3

Structural Information

Molecular Formula
C17H24O4
SMILES
C/C=C/C(C(C(=O)OC)(/C=C/C)/C=C/C)(C(=O)O)/C=C/C
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)/b10-6+,11-7+,12-8+,13-9+
InChIKey
ULSQQMGMCDEPFA-LKHRVSKSSA-N
Compound name
(E)-3-methoxycarbonyl-2,2,3-tris[(E)-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 170.5
[M+Na]+ 315.15667 175.4
[M-H]- 291.16017 168.6
[M+NH4]+ 310.20127 185.6
[M+K]+ 331.13061 171.7
[M+H-H2O]+ 275.16471 166.2
[M+HCOO]- 337.16565 186.5
[M+CH3COO]- 351.18130 199.1
[M+Na-2H]- 313.14212 171.3
[M]+ 292.16690 173.2
[M]- 292.16800 173.2
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

No patent data available for this compound.