CID 126970877

2-(methylamino)-2-[1-(methylsulfanyl)cyclopropyl]acetonitrile

Structural Information

Molecular Formula
C7H12N2S
SMILES
CNC(C#N)C1(CC1)SC
InChI
InChI=1S/C7H12N2S/c1-9-6(5-8)7(10-2)3-4-7/h6,9H,3-4H2,1-2H3
InChIKey
AKGVGWGTJKKSNV-UHFFFAOYSA-N
Compound name
2-(methylamino)-2-(1-methylsulfanylcyclopropyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07211 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 129.6
[M+Na]+ 179.06133 139.8
[M+NH4]+ 174.10593 136.8
[M+K]+ 195.03527 130.4
[M-H]- 155.06483 130.8
[M+Na-2H]- 177.04678 135.9
[M]+ 156.07156 132.0
[M]- 156.07266 132.0
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.