CID 107597

N-tosyl-l-aspartic acid

Structural Information

Molecular Formula
C11H13NO6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C11H13NO6S/c1-7-2-4-8(5-3-7)19(17,18)12-9(11(15)16)6-10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKey
SVCQSZKHLAERDL-VIFPVBQESA-N
Compound name
(2S)-2-[(4-methylphenyl)sulfonylamino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

287.04636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05364 160.7
[M+Na]+ 310.03558 167.2
[M+NH4]+ 305.08018 164.3
[M+K]+ 326.00952 164.6
[M-H]- 286.03908 157.8
[M+Na-2H]- 308.02103 162.2
[M]+ 287.04581 160.6
[M]- 287.04691 160.6
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

patents stripe