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]+ 183.10158 139.2
[M+Na]+ 205.08352 146.6
[M-H]- 181.08702 143.2
[M+NH4]+ 200.12812 159.8
[M+K]+ 221.05746 146.0
[M+H-H2O]+ 165.09156 134.5
[M+HCOO]- 227.09250 160.5
[M+CH3COO]- 241.10815 181.1
[M+Na-2H]- 203.06897 141.2
[M]+ 182.09375 140.1
[M]- 182.09485 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