CID 71758096

Thiomorpholine-3-carbonitrile

Structural Information

Molecular Formula
C5H8N2S
SMILES
C1CSCC(N1)C#N
InChI
InChI=1S/C5H8N2S/c6-3-5-4-8-2-1-7-5/h5,7H,1-2,4H2
InChIKey
SYLUMQBLQRVEPK-UHFFFAOYSA-N
Compound name
thiomorpholine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.04082 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04810 123.6
[M+Na]+ 151.03004 133.6
[M+NH4]+ 146.07464 129.4
[M+K]+ 167.00398 123.4
[M-H]- 127.03354 118.0
[M+Na-2H]- 149.01549 126.3
[M]+ 128.04027 122.8
[M]- 128.04137 122.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.