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 156.0
[M+Na]+ 290.05697 161.6
[M-H]- 266.06047 160.8
[M+NH4]+ 285.10157 171.8
[M+K]+ 306.03091 153.6
[M+H-H2O]+ 250.06501 153.4
[M+HCOO]- 312.06595 177.1
[M+CH3COO]- 326.08160 194.3
[M+Na-2H]- 288.04242 161.8
[M]+ 267.06720 154.7
[M]- 267.06830 154.7
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.