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

7
Patents

292.16745 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.174726 170.5
[M+Na]+ 315.156668 175.4
[M-H]- 291.160174 168.6
[M+NH4]+ 310.201273 185.6
[M+K]+ 331.130608 171.7
[M+H-H2O]+ 275.164710 166.2
[M+HCOO]- 337.165651 186.5
[M+CH3COO]- 351.181301 199.1
[M+Na-2H]- 313.142116 171.3
[M]+ 292.16690142 173.2
[M]- 292.16799858 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.