CID 93484010

Ns00064368

Structural Information

Molecular Formula
C20H30O4
SMILES
CC(C)COC(=O)C(CC=C)(CC=C)C(CC=C)(CC=C)C(=O)O
InChI
InChI=1S/C20H30O4/c1-7-11-19(12-8-2,17(21)22)20(13-9-3,14-10-4)18(23)24-15-16(5)6/h7-10,16H,1-4,11-15H2,5-6H3,(H,21,22)
InChIKey
ALEIWXWNRMWPIO-UHFFFAOYSA-N
Compound name
3-(2-methylpropoxycarbonyl)-2,2,3-tris(prop-2-enyl)hex-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.21442 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.221696 182.2
[M+Na]+ 357.203638 185.3
[M-H]- 333.207144 179.6
[M+NH4]+ 352.248243 183.3
[M+K]+ 373.177578 181.3
[M+H-H2O]+ 317.211680 177.4
[M+HCOO]- 379.212621 190.3
[M+CH3COO]- 393.228271 211.6
[M+Na-2H]- 355.189086 180.5
[M]+ 334.21387142 185.7
[M]- 334.21496858 185.7
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.