CID 9856584

L-aspartyl-l-methionine

Structural Information

Molecular Formula
C9H16N2O5S
SMILES
CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C9H16N2O5S/c1-17-3-2-6(9(15)16)11-8(14)5(10)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1
InChIKey
DYDKXJWQCIVTMR-WDSKDSINSA-N
Compound name
(3S)-3-amino-4-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1561
Patents

264.078 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.085276 159.8
[M+Na]+ 287.067218 161.7
[M-H]- 263.070724 155.8
[M+NH4]+ 282.111823 173.4
[M+K]+ 303.041158 160.5
[M+H-H2O]+ 247.075260 153.1
[M+HCOO]- 309.076201 171.7
[M+CH3COO]- 323.091851 196.1
[M+Na-2H]- 285.052666 155.3
[M]+ 264.07745142 159.3
[M]- 264.07854858 159.3
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