CID 24840116

Met cnu

Structural Information

Molecular Formula
C9H16ClN3O4S
SMILES
COC(=O)[C@H](CCSC)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C9H16ClN3O4S/c1-17-8(14)7(3-6-18-2)11-9(15)13(12-16)5-4-10/h7H,3-6H2,1-2H3,(H,11,15)/t7-/m0/s1
InChIKey
BEVSZOWNFMWZGE-ZETCQYMHSA-N
Compound name
methyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methylsulfanylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.055 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06228 166.1
[M+Na]+ 320.04422 171.0
[M+NH4]+ 315.08882 170.9
[M+K]+ 336.01816 166.4
[M-H]- 296.04772 164.6
[M+Na-2H]- 318.02967 166.5
[M]+ 297.05445 166.4
[M]- 297.05555 166.4
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.