CID 46432

64037-68-9

Structural Information

Molecular Formula
C9H15NOS
SMILES
CCC(CC)(C(=O)N)SCC#C
InChI
InChI=1S/C9H15NOS/c1-4-7-12-9(5-2,6-3)8(10)11/h1H,5-7H2,2-3H3,(H2,10,11)
InChIKey
IRLPIORIFSVWIM-UHFFFAOYSA-N
Compound name
2-ethyl-2-prop-2-ynylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08743 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09471 139.0
[M+Na]+ 208.07665 146.9
[M+NH4]+ 203.12125 142.8
[M+K]+ 224.05059 138.1
[M-H]- 184.08015 130.4
[M+Na-2H]- 206.06210 138.5
[M]+ 185.08688 137.1
[M]- 185.08798 137.1
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.