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

503
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 159.5
[M+Na]+ 285.14612 166.5
[M-H]- 261.14962 163.6
[M+NH4]+ 280.19072 179.2
[M+K]+ 301.12006 164.5
[M+H-H2O]+ 245.15416 156.1
[M+HCOO]- 307.15510 177.4
[M+CH3COO]- 321.17075 198.8
[M+Na-2H]- 283.13157 157.2
[M]+ 262.15635 160.6
[M]- 262.15745 160.6
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