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]+ 148.07908 132.0
[M+Na]+ 170.06102 138.7
[M-H]- 146.06452 132.0
[M+NH4]+ 165.10562 153.4
[M+K]+ 186.03496 137.5
[M+H-H2O]+ 130.06906 127.3
[M+HCOO]- 192.07000 148.4
[M+CH3COO]- 206.08565 177.3
[M+Na-2H]- 168.04647 134.1
[M]+ 147.07125 133.0
[M]- 147.07235 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