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]+ 156.032296 135.9
[M+Na]+ 178.014238 147.8
[M-H]- 154.017744 139.1
[M+NH4]+ 173.058843 148.9
[M+K]+ 193.988178 143.1
[M+H-H2O]+ 138.022280 127.4
[M+HCOO]- 200.023221 153.4
[M+CH3COO]- 214.038871 148.7
[M+Na-2H]- 175.999686 143.9
[M]+ 155.02447142 138.8
[M]- 155.02556858 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.