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 147.6
[M+Na]+ 208.07665 155.5
[M-H]- 184.08015 147.3
[M+NH4]+ 203.12125 165.4
[M+K]+ 224.05059 153.6
[M+H-H2O]+ 168.08469 136.7
[M+HCOO]- 230.08563 158.2
[M+CH3COO]- 244.10128 192.5
[M+Na-2H]- 206.06210 147.7
[M]+ 185.08688 143.8
[M]- 185.08798 143.8
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.