CID 448581

N-succinyl methionine

Structural Information

Molecular Formula
C9H15NO5S
SMILES
CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O
InChI
InChI=1S/C9H15NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m1/s1
InChIKey
CZFFMUMOBDIXJU-ZCFIWIBFSA-N
Compound name
(2R)-2-(3-carboxypropanoylamino)-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

249.0671 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07438 155.9
[M+Na]+ 272.05632 159.1
[M-H]- 248.05982 152.6
[M+NH4]+ 267.10092 171.0
[M+K]+ 288.03026 157.6
[M+H-H2O]+ 232.06436 149.8
[M+HCOO]- 294.06530 168.7
[M+CH3COO]- 308.08095 190.2
[M+Na-2H]- 270.04177 153.1
[M]+ 249.06655 158.0
[M]- 249.06765 158.0
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