CID 208312

N-tosyl-l-alanine diazomethyl ketone

Structural Information

Molecular Formula
C11H13N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)C=[N+]=[N-]
InChI
InChI=1S/C11H13N3O3S/c1-8-3-5-10(6-4-8)18(16,17)14-9(2)11(15)7-13-12/h3-7,9,14H,1-2H3/t9-/m0/s1
InChIKey
WNOLGMUTIVXBHD-VIFPVBQESA-N
Compound name
N-[(2S)-4-diazo-3-oxobutan-2-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.06775 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07503 155.5
[M+Na]+ 290.05697 165.2
[M+NH4]+ 285.10157 161.7
[M+K]+ 306.03091 161.1
[M-H]- 266.06047 158.0
[M+Na-2H]- 288.04242 160.5
[M]+ 267.06720 157.6
[M]- 267.06830 157.6
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

No patent data available for this compound.