CID 57076737

N-formyl-l-methionyl-l-serinate

Structural Information

Molecular Formula
C9H16N2O5S
SMILES
CSCC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC=O
InChI
InChI=1S/C9H16N2O5S/c1-17-3-2-6(10-5-13)8(14)11-7(4-12)9(15)16/h5-7,12H,2-4H2,1H3,(H,10,13)(H,11,14)(H,15,16)/t6-,7-/m0/s1
InChIKey
VWHPPKRHOBGYBS-BQBZGAKWSA-N
Compound name
(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.078 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08528 159.1
[M+Na]+ 287.06722 161.3
[M-H]- 263.07072 155.5
[M+NH4]+ 282.11182 173.1
[M+K]+ 303.04116 159.8
[M+H-H2O]+ 247.07526 152.3
[M+HCOO]- 309.07620 172.7
[M+CH3COO]- 323.09185 195.5
[M+Na-2H]- 285.05267 156.8
[M]+ 264.07745 160.2
[M]- 264.07855 160.2
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

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