CID 55267135

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

137.05891 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 127.5
[M+Na]+ 160.048128 135.2
[M-H]- 136.051634 126.8
[M+NH4]+ 155.092733 146.9
[M+K]+ 176.022068 132.6
[M+H-H2O]+ 120.056170 120.5
[M+HCOO]- 182.057111 149.7
[M+CH3COO]- 196.072761 169.7
[M+Na-2H]- 158.033576 132.5
[M]+ 137.05836142 123.7
[M]- 137.05945858 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