CID 80655624

2-(1-chloroethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C6H8ClN3
SMILES
CC(C1=NC=CC(=N1)N)Cl
InChI
InChI=1S/C6H8ClN3/c1-4(7)6-9-3-2-5(8)10-6/h2-4H,1H3,(H2,8,9,10)
InChIKey
GYRPNAFKRXTCSA-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.04068 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.047956 129.6
[M+Na]+ 180.029898 138.9
[M-H]- 156.033404 130.2
[M+NH4]+ 175.074503 148.3
[M+K]+ 196.003838 135.6
[M+H-H2O]+ 140.037940 123.2
[M+HCOO]- 202.038881 147.3
[M+CH3COO]- 216.054531 177.6
[M+Na-2H]- 178.015346 136.4
[M]+ 157.04013142 129.3
[M]- 157.04122858 129.3
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.