CID 3007378

104940-94-5

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C=C(C(=O)C1=CC=CO1)N2C=NC=N2
InChI
InChI=1S/C9H7N3O2/c1-7(12-6-10-5-11-12)9(13)8-3-2-4-14-8/h2-6H,1H2
InChIKey
DDMSTRISGJPODO-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

189.05383 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.061106 136.7
[M+Na]+ 212.043048 146.2
[M-H]- 188.046554 141.0
[M+NH4]+ 207.087653 153.9
[M+K]+ 228.016988 145.5
[M+H-H2O]+ 172.051090 128.5
[M+HCOO]- 234.052031 159.6
[M+CH3COO]- 248.067681 179.4
[M+Na-2H]- 210.028496 141.2
[M]+ 189.05328142 139.3
[M]- 189.05437858 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.