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]+ 190.06111 136.7
[M+Na]+ 212.04305 146.2
[M-H]- 188.04655 141.0
[M+NH4]+ 207.08765 153.9
[M+K]+ 228.01699 145.5
[M+H-H2O]+ 172.05109 128.5
[M+HCOO]- 234.05203 159.6
[M+CH3COO]- 248.06768 179.4
[M+Na-2H]- 210.02850 141.2
[M]+ 189.05328 139.3
[M]- 189.05438 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.