CID 12278266

4-chloro-6-(methylamino)pyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C6H6ClN3O
SMILES
CNC1=C(C(=NC=N1)Cl)C=O
InChI
InChI=1S/C6H6ClN3O/c1-8-6-4(2-11)5(7)9-3-10-6/h2-3H,1H3,(H,8,9,10)
InChIKey
BCMOVOOMPUFQKV-UHFFFAOYSA-N
Compound name
4-chloro-6-(methylamino)pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

171.01994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.02722 130.9
[M+Na]+ 194.00916 141.6
[M-H]- 170.01266 132.3
[M+NH4]+ 189.05376 149.5
[M+K]+ 209.98310 138.1
[M+H-H2O]+ 154.01720 124.5
[M+HCOO]- 216.01814 150.6
[M+CH3COO]- 230.03379 179.7
[M+Na-2H]- 191.99461 139.2
[M]+ 171.01939 133.2
[M]- 171.02049 133.2
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

patents stripe