CID 6446911

67883-84-5

Structural Information

Molecular Formula
C10H12O4
SMILES
CC(C)/C=C/C(=O)C1=C(C(=O)OC1)O
InChI
InChI=1S/C10H12O4/c1-6(2)3-4-8(11)7-5-14-10(13)9(7)12/h3-4,6,12H,5H2,1-2H3/b4-3+
InChIKey
UHBWGAZSBCIWJP-ONEGZZNKSA-N
Compound name
4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07356 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 141.2
[M+Na]+ 219.062778 148.8
[M-H]- 195.066284 144.4
[M+NH4]+ 214.107383 160.5
[M+K]+ 235.036718 148.2
[M+H-H2O]+ 179.070820 136.6
[M+HCOO]- 241.071761 161.8
[M+CH3COO]- 255.087411 181.1
[M+Na-2H]- 217.048226 142.6
[M]+ 196.07301142 142.6
[M]- 196.07410858 142.6
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

No patent data available for this compound.