CID 23027192

2-chloro-n-ethylpyrimidin-4-amine

Structural Information

Molecular Formula
C6H8ClN3
SMILES
CCNC1=NC(=NC=C1)Cl
InChI
InChI=1S/C6H8ClN3/c1-2-8-5-3-4-9-6(7)10-5/h3-4H,2H2,1H3,(H,8,9,10)
InChIKey
CQIZRQZZERNHGF-UHFFFAOYSA-N
Compound name
2-chloro-N-ethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

157.04068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04796 129.0
[M+Na]+ 180.02990 138.5
[M-H]- 156.03340 130.0
[M+NH4]+ 175.07450 148.1
[M+K]+ 196.00384 135.1
[M+H-H2O]+ 140.03794 122.4
[M+HCOO]- 202.03888 148.3
[M+CH3COO]- 216.05453 177.4
[M+Na-2H]- 178.01535 138.1
[M]+ 157.04013 130.3
[M]- 157.04123 130.3
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