CID 53772468

82248-68-8

Structural Information

Molecular Formula
C10H14O3
SMILES
CCC(C=CC)C1CC(=O)OC1=O
InChI
InChI=1S/C10H14O3/c1-3-5-7(4-2)8-6-9(11)13-10(8)12/h3,5,7-8H,4,6H2,1-2H3
InChIKey
DPPABQIFLUXEPO-UHFFFAOYSA-N
Compound name
3-hex-4-en-3-yloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.0943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.101576 139.2
[M+Na]+ 205.083518 146.6
[M-H]- 181.087024 143.2
[M+NH4]+ 200.128123 159.8
[M+K]+ 221.057458 146.0
[M+H-H2O]+ 165.091560 134.5
[M+HCOO]- 227.092501 160.5
[M+CH3COO]- 241.108151 181.1
[M+Na-2H]- 203.068966 141.2
[M]+ 182.09375142 140.1
[M]- 182.09484858 140.1
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