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]+ 163.061426 132.2
[M+Na]+ 185.043368 140.8
[M-H]- 161.046874 132.1
[M+NH4]+ 180.087973 147.4
[M+K]+ 201.017308 139.1
[M+H-H2O]+ 145.051410 117.5
[M+HCOO]- 207.052351 151.2
[M+CH3COO]- 221.068001 190.6
[M+Na-2H]- 183.028816 139.8
[M]+ 162.05360142 126.1
[M]- 162.05469858 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.