CID 115481

63979-83-9

Structural Information

Molecular Formula
C16H22O3
SMILES
CC(=CC1C(=O)OC(=O)C1(C=C(C)C)C=C(C)C)C
InChI
InChI=1S/C16H22O3/c1-10(2)7-13-14(17)19-15(18)16(13,8-11(3)4)9-12(5)6/h7-9,13H,1-6H3
InChIKey
IGFXDIOXQABHSI-UHFFFAOYSA-N
Compound name
3,3,4-tris(2-methylprop-1-enyl)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

462
Patents

262.1569 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 164.5
[M+Na]+ 285.14612 172.5
[M+NH4]+ 280.19072 171.0
[M+K]+ 301.12006 168.3
[M-H]- 261.14962 164.3
[M+Na-2H]- 283.13157 165.3
[M]+ 262.15635 165.2
[M]- 262.15745 165.2
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