CID 3078315

N-(2-mercaptoethyl)valenamide hydrobromide

Structural Information

Molecular Formula
C7H16N2OS
SMILES
CC(C)[C@@H](C(=O)NCCS)N
InChI
InChI=1S/C7H16N2OS/c1-5(2)6(8)7(10)9-3-4-11/h5-6,11H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKey
UBYFEFRDRPOFCE-LURJTMIESA-N
Compound name
(2S)-2-amino-3-methyl-N-(2-sulfanylethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

176.09833 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10561 141.0
[M+Na]+ 199.08755 147.2
[M+NH4]+ 194.13215 148.0
[M+K]+ 215.06149 142.0
[M-H]- 175.09105 140.6
[M+Na-2H]- 197.07300 142.2
[M]+ 176.09778 141.7
[M]- 176.09888 141.7
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