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

1974
Patents

123.04326 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.050536 120.4
[M+Na]+ 146.032478 129.0
[M-H]- 122.035984 121.6
[M+NH4]+ 141.077083 139.6
[M+K]+ 162.006418 127.6
[M+H-H2O]+ 106.040520 113.2
[M+HCOO]- 168.041461 145.2
[M+CH3COO]- 182.057111 170.5
[M+Na-2H]- 144.017926 131.3
[M]+ 123.04271142 119.9
[M]- 123.04380858 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

literature stripe

Patent stripe

patents stripe