CID 5245532

2-acetamido-n,n-dimethyl-4-(methylsulfanyl)butanamide

Structural Information

Molecular Formula
C9H18N2O2S
SMILES
CC(=O)NC(CCSC)C(=O)N(C)C
InChI
InChI=1S/C9H18N2O2S/c1-7(12)10-8(5-6-14-4)9(13)11(2)3/h8H,5-6H2,1-4H3,(H,10,12)
InChIKey
FHQIKDAFWDCWFW-UHFFFAOYSA-N
Compound name
2-acetamido-N,N-dimethyl-4-methylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1089 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11618 152.1
[M+Na]+ 241.09812 156.2
[M-H]- 217.10162 153.4
[M+NH4]+ 236.14272 170.9
[M+K]+ 257.07206 156.3
[M+H-H2O]+ 201.10616 145.5
[M+HCOO]- 263.10710 169.4
[M+CH3COO]- 277.12275 196.6
[M+Na-2H]- 239.08357 150.7
[M]+ 218.10835 155.5
[M]- 218.10945 155.5
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.