CID 101233

Propionamide, 2-ethylthio-2-methyl-

Structural Information

Molecular Formula
C6H13NOS
SMILES
CCSC(C)(C)C(=O)N
InChI
InChI=1S/C6H13NOS/c1-4-9-6(2,3)5(7)8/h4H2,1-3H3,(H2,7,8)
InChIKey
ZSULBANMWVWXHW-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

147.0718 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.079076 132.0
[M+Na]+ 170.061018 138.7
[M-H]- 146.064524 132.0
[M+NH4]+ 165.105623 153.4
[M+K]+ 186.034958 137.5
[M+H-H2O]+ 130.069060 127.3
[M+HCOO]- 192.070001 148.4
[M+CH3COO]- 206.085651 177.3
[M+Na-2H]- 168.046466 134.1
[M]+ 147.07125142 133.0
[M]- 147.07234858 133.0
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

patents stripe