CID 679171

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

Structural Information

Molecular Formula
C6H6ClN3O
SMILES
C1=CN=C(N=C1)NC(=O)CCl
InChI
InChI=1S/C6H6ClN3O/c7-4-5(11)10-6-8-2-1-3-9-6/h1-3H,4H2,(H,8,9,10,11)
InChIKey
JHKOSWFVNOWHEU-UHFFFAOYSA-N
Compound name
2-chloro-N-pyrimidin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

171.01994 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.02722 131.0
[M+Na]+ 194.00916 139.7
[M-H]- 170.01266 131.9
[M+NH4]+ 189.05376 149.1
[M+K]+ 209.98310 136.6
[M+H-H2O]+ 154.01720 124.2
[M+HCOO]- 216.01814 149.8
[M+CH3COO]- 230.03379 177.6
[M+Na-2H]- 191.99461 139.7
[M]+ 171.01939 132.0
[M]- 171.02049 132.0
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