CID 7009598

Ser-phe

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₄

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CO)N

InChI

InChI=1S/C12H16N2O4/c13-9(7-15)11(16)14-10(12(17)18)6-8-4-2-1-3-5-8/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1

InChIKey

PPQRSMGDOHLTBE-UWVGGRQHSA-N

Compound name

(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4538
Patents: 252.11101 Da
Monoisotopic Mass: -3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.11829	157.9
[M+Na]+	275.10023	163.9
[M+NH4]+	270.14483	162.2
[M+K]+	291.07417	162.1
[M-H]-	251.10373	156.9
[M+Na-2H]-	273.08568	159.9
[M]+	252.11046	157.7
[M]-	252.11156	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe