CID 255580

N-(2-pyrimidinyl)-formamide

Structural Information

Molecular Formula
C5H5N3O
SMILES
C1=CN=C(N=C1)NC=O
InChI
InChI=1S/C5H5N3O/c9-4-8-5-6-2-1-3-7-5/h1-4H,(H,6,7,8,9)
InChIKey
ANCSTOBSCOWSPF-UHFFFAOYSA-N
Compound name
N-pyrimidin-2-ylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1959
Patents

123.04326 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05054 120.4
[M+Na]+ 146.03248 129.0
[M-H]- 122.03598 121.6
[M+NH4]+ 141.07708 139.6
[M+K]+ 162.00642 127.6
[M+H-H2O]+ 106.04052 113.2
[M+HCOO]- 168.04146 145.2
[M+CH3COO]- 182.05711 170.5
[M+Na-2H]- 144.01793 131.3
[M]+ 123.04271 119.9
[M]- 123.04381 119.9
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.