CID 90478256

Ns00001042

Structural Information

Molecular Formula
C13H16O3
SMILES
C/C=C/C1C(C(=O)OC1=O)/C(=C/C)/C=C/C
InChI
InChI=1S/C13H16O3/c1-4-7-9(6-3)11-10(8-5-2)12(14)16-13(11)15/h4-8,10-11H,1-3H3/b7-4+,8-5+,9-6+
InChIKey
OAYWBOWNCUOGFO-OTWDQPKHSA-N
Compound name
3-[(2E,4E)-hexa-2,4-dien-3-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.10994 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 149.4
[M+Na]+ 243.099158 157.2
[M-H]- 219.102664 153.5
[M+NH4]+ 238.143763 168.8
[M+K]+ 259.073098 154.7
[M+H-H2O]+ 203.107200 144.8
[M+HCOO]- 265.108141 170.2
[M+CH3COO]- 279.123791 188.4
[M+Na-2H]- 241.084606 149.4
[M]+ 220.10939142 150.3
[M]- 220.11048858 150.3
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.