CID 115773091

4-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylbutanenitrile

Structural Information

Molecular Formula
C12H22N2S
SMILES
CC1(CN(CCS1)CCC(C)(C)C#N)C
InChI
InChI=1S/C12H22N2S/c1-11(2,9-13)5-6-14-7-8-15-12(3,4)10-14/h5-8,10H2,1-4H3
InChIKey
GRWWYDHYSJNVGN-UHFFFAOYSA-N
Compound name
4-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.15038 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15766 154.0
[M+Na]+ 249.13960 161.9
[M-H]- 225.14310 156.1
[M+NH4]+ 244.18420 171.9
[M+K]+ 265.11354 159.0
[M+H-H2O]+ 209.14764 142.3
[M+HCOO]- 271.14858 162.8
[M+CH3COO]- 285.16423 201.5
[M+Na-2H]- 247.12505 156.1
[M]+ 226.14983 148.9
[M]- 226.15093 148.9
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

No patent data available for this compound.