CID 146480

Methioninamide

Structural Information

Molecular Formula
C5H12N2OS
SMILES
CSCC[C@@H](C(=O)N)N
InChI
InChI=1S/C5H12N2OS/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m0/s1
InChIKey
GSYTVXOARWSQSV-BYPYZUCNSA-N
Compound name
(2S)-2-amino-4-methylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1368
Patents

148.06703 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.074306 131.7
[M+Na]+ 171.056248 137.2
[M-H]- 147.059754 131.0
[M+NH4]+ 166.100853 152.1
[M+K]+ 187.030188 135.8
[M+H-H2O]+ 131.064290 126.0
[M+HCOO]- 193.065231 149.1
[M+CH3COO]- 207.080881 179.1
[M+Na-2H]- 169.041696 131.8
[M]+ 148.06648142 130.3
[M]- 148.06757858 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe