CID 249975

1-(1-aziridinylcarbothioyl)aziridine

Structural Information

Molecular Formula
C5H8N2S
SMILES
C1CN1C(=S)N2CC2
InChI
InChI=1S/C5H8N2S/c8-5(6-1-2-6)7-3-4-7/h1-4H2
InChIKey
KRZIVQTXDOLKAT-UHFFFAOYSA-N
Compound name
bis(aziridin-1-yl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

128.04082 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04810 142.0
[M+Na]+ 151.03004 150.3
[M-H]- 127.03354 146.7
[M+NH4]+ 146.07464 150.6
[M+K]+ 167.00398 148.2
[M+H-H2O]+ 111.03808 134.5
[M+HCOO]- 173.03902 156.3
[M+CH3COO]- 187.05467 183.8
[M+Na-2H]- 149.01549 142.9
[M]+ 128.04027 144.9
[M]- 128.04137 144.9
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

patents stripe