CID 3034688

Mth-dl-leucine

Structural Information

Molecular Formula
C8H14N2OS
SMILES
CC(C)CC1C(=O)N(C(=S)N1)C
InChI
InChI=1S/C8H14N2OS/c1-5(2)4-6-7(11)10(3)8(12)9-6/h5-6H,4H2,1-3H3,(H,9,12)
InChIKey
HUATVCMZVINTLH-UHFFFAOYSA-N
Compound name
3-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.08269 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08997 144.5
[M+Na]+ 209.07191 153.5
[M+NH4]+ 204.11651 151.4
[M+K]+ 225.04585 148.6
[M-H]- 185.07541 143.5
[M+Na-2H]- 207.05736 145.3
[M]+ 186.08214 145.6
[M]- 186.08324 145.6
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.