CID 116404789

2,2-dimethylthiomorpholine-4-carbonitrile

Structural Information

Molecular Formula
C7H12N2S
SMILES
CC1(CN(CCS1)C#N)C
InChI
InChI=1S/C7H12N2S/c1-7(2)5-9(6-8)3-4-10-7/h3-5H2,1-2H3
InChIKey
WUJJRTSLIHOLCA-UHFFFAOYSA-N
Compound name
2,2-dimethylthiomorpholine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07211 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 128.3
[M+Na]+ 179.06133 138.9
[M+NH4]+ 174.10593 135.4
[M+K]+ 195.03527 126.9
[M-H]- 155.06483 123.1
[M+Na-2H]- 177.04678 132.6
[M]+ 156.07156 128.0
[M]- 156.07266 128.0
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.