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

504
Patents

262.1569 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.164176 159.5
[M+Na]+ 285.146118 166.5
[M-H]- 261.149624 163.6
[M+NH4]+ 280.190723 179.2
[M+K]+ 301.120058 164.5
[M+H-H2O]+ 245.154160 156.1
[M+HCOO]- 307.155101 177.4
[M+CH3COO]- 321.170751 198.8
[M+Na-2H]- 283.131566 157.2
[M]+ 262.15635142 160.6
[M]- 262.15744858 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