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]+ 268.075026 156.0
[M+Na]+ 290.056968 161.6
[M-H]- 266.060474 160.8
[M+NH4]+ 285.101573 171.8
[M+K]+ 306.030908 153.6
[M+H-H2O]+ 250.065010 153.4
[M+HCOO]- 312.065951 177.1
[M+CH3COO]- 326.081601 194.3
[M+Na-2H]- 288.042416 161.8
[M]+ 267.06720142 154.7
[M]- 267.06829858 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.