CID 16228728

3-aminothiolane-3-carbonitrile

Structural Information

Molecular Formula
C5H8N2S
SMILES
C1CSCC1(C#N)N
InChI
InChI=1S/C5H8N2S/c6-3-5(7)1-2-8-4-5/h1-2,4,7H2
InChIKey
QCTFJYRKJWUANN-UHFFFAOYSA-N
Compound name
3-aminothiolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

128.04082 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04810 121.6
[M+Na]+ 151.03004 130.1
[M+NH4]+ 146.07464 128.9
[M+K]+ 167.00398 120.4
[M-H]- 127.03354 116.5
[M+Na-2H]- 149.01549 125.4
[M]+ 128.04027 120.9
[M]- 128.04137 120.9
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