CID 65494066

2-{1-[(methylsulfanyl)methyl]cyclopropyl}acetonitrile

Structural Information

Molecular Formula
C7H11NS
SMILES
CSCC1(CC1)CC#N
InChI
InChI=1S/C7H11NS/c1-9-6-7(2-3-7)4-5-8/h2-4,6H2,1H3
InChIKey
AVZYZPXGSPRXTL-UHFFFAOYSA-N
Compound name
2-[1-(methylsulfanylmethyl)cyclopropyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

141.06122 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 124.9
[M+Na]+ 164.050438 140.4
[M-H]- 140.053944 132.2
[M+NH4]+ 159.095043 144.3
[M+K]+ 180.024378 135.9
[M+H-H2O]+ 124.058480 116.7
[M+HCOO]- 186.059421 142.1
[M+CH3COO]- 200.075071 189.5
[M+Na-2H]- 162.035886 131.9
[M]+ 141.06067142 126.9
[M]- 141.06176858 126.9
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