CID 5364162

(2e)-3-(1h-imidazol-4-yl)prop-2-enamide

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1=C(NC=N1)/C=C/C(=O)N
InChI
InChI=1S/C6H7N3O/c7-6(10)2-1-5-3-8-4-9-5/h1-4H,(H2,7,10)(H,8,9)/b2-1+
InChIKey
CKJRUPKSMAKXNR-OWOJBTEDSA-N
Compound name
(E)-3-(1H-imidazol-5-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

137.05891 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 127.5
[M+Na]+ 160.04813 135.2
[M-H]- 136.05163 126.8
[M+NH4]+ 155.09273 146.9
[M+K]+ 176.02207 132.6
[M+H-H2O]+ 120.05617 120.5
[M+HCOO]- 182.05711 149.7
[M+CH3COO]- 196.07276 169.7
[M+Na-2H]- 158.03358 132.5
[M]+ 137.05836 123.7
[M]- 137.05946 123.7
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

patents stripe