CID 203565

14673-04-2

Structural Information

Molecular Formula
C6H6ClN3
SMILES
C1CN1C2=CC(=NC=N2)Cl
InChI
InChI=1S/C6H6ClN3/c7-5-3-6(9-4-8-5)10-1-2-10/h3-4H,1-2H2
InChIKey
MMXBUFOHHCHMGK-UHFFFAOYSA-N
Compound name
4-(aziridin-1-yl)-6-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.02502 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.03230 135.9
[M+Na]+ 178.01424 147.8
[M-H]- 154.01774 139.1
[M+NH4]+ 173.05884 148.9
[M+K]+ 193.98818 143.1
[M+H-H2O]+ 138.02228 127.4
[M+HCOO]- 200.02322 153.4
[M+CH3COO]- 214.03887 148.7
[M+Na-2H]- 175.99969 143.9
[M]+ 155.02447 138.8
[M]- 155.02557 138.8
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.