CID 4577017

2-cyano-n-(pyrimidin-2-yl)acetamide

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CN=C(N=C1)NC(=O)CC#N
InChI
InChI=1S/C7H6N4O/c8-3-2-6(12)11-7-9-4-1-5-10-7/h1,4-5H,2H2,(H,9,10,11,12)
InChIKey
ZQQDHDUYVWOSSB-UHFFFAOYSA-N
Compound name
2-cyano-N-pyrimidin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.05415 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 132.2
[M+Na]+ 185.04337 140.8
[M-H]- 161.04687 132.1
[M+NH4]+ 180.08797 147.4
[M+K]+ 201.01731 139.1
[M+H-H2O]+ 145.05141 117.5
[M+HCOO]- 207.05235 151.2
[M+CH3COO]- 221.06800 190.6
[M+Na-2H]- 183.02882 139.8
[M]+ 162.05360 126.1
[M]- 162.05470 126.1
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.