CID 202689

13096-21-4

Structural Information

Molecular Formula
C10H11ClN2OS
SMILES
C1CN1C(=O)C2=C(C=CN=C2)SCCCl
InChI
InChI=1S/C10H11ClN2OS/c11-2-6-15-9-1-3-12-7-8(9)10(14)13-4-5-13/h1,3,7H,2,4-6H2
InChIKey
VPHMDSGUBQGOEI-UHFFFAOYSA-N
Compound name
aziridin-1-yl-[4-(2-chloroethylsulfanyl)pyridin-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.02806 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03534 152.1
[M+Na]+ 265.01728 166.7
[M+NH4]+ 260.06188 161.1
[M+K]+ 280.99122 159.1
[M-H]- 241.02078 161.1
[M+Na-2H]- 263.00273 161.1
[M]+ 242.02751 158.5
[M]- 242.02861 158.5
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.