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

47
Patents

157.04068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.047956 129.0
[M+Na]+ 180.029898 138.5
[M-H]- 156.033404 130.0
[M+NH4]+ 175.074503 148.1
[M+K]+ 196.003838 135.1
[M+H-H2O]+ 140.037940 122.4
[M+HCOO]- 202.038881 148.3
[M+CH3COO]- 216.054531 177.4
[M+Na-2H]- 178.015346 138.1
[M]+ 157.04013142 130.3
[M]- 157.04122858 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