CID 138911167

N-acetyl-s-(2-succino)-l-cysteine

Structural Information

Molecular Formula
C9H13NO7S
SMILES
CC(=O)N[C@@H](CSC(CC(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C9H13NO7S/c1-4(11)10-5(8(14)15)3-18-6(9(16)17)2-7(12)13/h5-6H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t5-,6?/m0/s1
InChIKey
VWRYIVZHCHQFKJ-ZBHICJROSA-N
Compound name
2-[(2R)-2-acetamido-2-carboxyethyl]sulfanylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.04126 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.04854 160.6
[M+Na]+ 302.03048 162.4
[M+NH4]+ 297.07508 162.0
[M+K]+ 318.00442 162.6
[M-H]- 278.03398 153.6
[M+Na-2H]- 300.01593 156.5
[M]+ 279.04071 158.2
[M]- 279.04181 158.2
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

No patent data available for this compound.