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]+ 142.06850 124.9
[M+Na]+ 164.05044 140.4
[M-H]- 140.05394 132.2
[M+NH4]+ 159.09504 144.3
[M+K]+ 180.02438 135.9
[M+H-H2O]+ 124.05848 116.7
[M+HCOO]- 186.05942 142.1
[M+CH3COO]- 200.07507 189.5
[M+Na-2H]- 162.03589 131.9
[M]+ 141.06067 126.9
[M]- 141.06177 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