CID 15669520

2490442-02-7

Structural Information

Molecular Formula
C7H6O3
SMILES
C1=COC(=C1)C(=O)/C=C/O
InChI
InChI=1S/C7H6O3/c8-4-3-6(9)7-2-1-5-10-7/h1-5,8H/b4-3+
InChIKey
XGILJYGIMHVANM-ONEGZZNKSA-N
Compound name
(E)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.0317 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03898 126.5
[M+Na]+ 161.02092 137.0
[M+NH4]+ 156.06552 133.9
[M+K]+ 176.99486 134.5
[M-H]- 137.02442 127.6
[M+Na-2H]- 159.00637 130.8
[M]+ 138.03115 128.0
[M]- 138.03225 128.0
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.