CID 6442664

2-methyl-cis-dienelactone

Structural Information

Molecular Formula
C7H6O4
SMILES
CC1=C/C(=C\C(=O)O)/OC1=O
InChI
InChI=1S/C7H6O4/c1-4-2-5(3-6(8)9)11-7(4)10/h2-3H,1H3,(H,8,9)/b5-3+
InChIKey
HXXINAAENBITMD-HWKANZROSA-N
Compound name
(2E)-2-(4-methyl-5-oxofuran-2-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

154.02661 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.033886 126.8
[M+Na]+ 177.015828 135.9
[M-H]- 153.019334 130.3
[M+NH4]+ 172.060433 147.8
[M+K]+ 192.989768 135.5
[M+H-H2O]+ 137.023870 122.6
[M+HCOO]- 199.024811 149.3
[M+CH3COO]- 213.040461 171.1
[M+Na-2H]- 175.001276 131.0
[M]+ 154.02606142 127.7
[M]- 154.02715858 127.7
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.