CID 2049770

Nsc655959

Structural Information

Molecular Formula
C9H7NO3
SMILES
CC1=N/C(=C\C2=CC=CO2)/C(=O)O1
InChI
InChI=1S/C9H7NO3/c1-6-10-8(9(11)13-6)5-7-3-2-4-12-7/h2-5H,1H3/b8-5-
InChIKey
SDOORZKPWPUAPF-YVMONPNESA-N
Compound name
(4Z)-4-(furan-2-ylmethylidene)-2-methyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 133.1
[M+Na]+ 200.03181 143.2
[M-H]- 176.03531 140.6
[M+NH4]+ 195.07641 153.0
[M+K]+ 216.00575 143.4
[M+H-H2O]+ 160.03985 127.9
[M+HCOO]- 222.04079 157.1
[M+CH3COO]- 236.05644 176.5
[M+Na-2H]- 198.01726 138.1
[M]+ 177.04204 135.9
[M]- 177.04314 135.9
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.