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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.