CID 112055

10500-34-2

Structural Information

Molecular Formula
C10H14O3
SMILES
CCCC=CCC1CC(=O)OC1=O
InChI
InChI=1S/C10H14O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h4-5,8H,2-3,6-7H2,1H3
InChIKey
VWXVGDSPDMSWFP-UHFFFAOYSA-N
Compound name
3-hex-2-enyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

197
Patents

182.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 140.8
[M+Na]+ 205.08352 150.6
[M+NH4]+ 200.12812 147.8
[M+K]+ 221.05746 146.9
[M-H]- 181.08702 142.0
[M+Na-2H]- 203.06897 142.9
[M]+ 182.09375 142.2
[M]- 182.09485 142.2
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