CID 2063452

N-tosyl-l-glutamic acid

Structural Information

Molecular Formula
C12H15NO6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C12H15NO6S/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKey
KKOZKXBAPIYWAT-JTQLQIEISA-N
Compound name
(2S)-2-[(4-methylphenyl)sulfonylamino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

158
Patents

301.062 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06928 163.8
[M+Na]+ 324.05122 168.5
[M-H]- 300.05472 164.3
[M+NH4]+ 319.09582 176.8
[M+K]+ 340.02516 165.9
[M+H-H2O]+ 284.05926 157.5
[M+HCOO]- 346.06020 177.3
[M+CH3COO]- 360.07585 197.7
[M+Na-2H]- 322.03667 164.5
[M]+ 301.06145 166.1
[M]- 301.06255 166.1
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

patents stripe