CID 9989773

(2s)-2-amino-n,n-dimethyl-4-(methylsulfanyl)butanamide hydrochloride

Structural Information

Molecular Formula
C7H16N2OS
SMILES
CN(C)C(=O)C(CCSC)N
InChI
InChI=1S/C7H16N2OS/c1-9(2)7(10)6(8)4-5-11-3/h6H,4-5,8H2,1-3H3
InChIKey
NJAVVXLRMYVVLK-UHFFFAOYSA-N
Compound name
2-amino-N,N-dimethyl-4-methylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

176.09833 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10561 141.0
[M+Na]+ 199.08755 145.9
[M-H]- 175.09105 142.0
[M+NH4]+ 194.13215 161.3
[M+K]+ 215.06149 145.8
[M+H-H2O]+ 159.09559 134.8
[M+HCOO]- 221.09653 158.9
[M+CH3COO]- 235.11218 188.6
[M+Na-2H]- 197.07300 140.4
[M]+ 176.09778 142.5
[M]- 176.09888 142.5
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

patents stripe