CID 193508

H-phe-ser-oh

Structural Information

Molecular Formula
C12H16N2O4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CO)C(=O)O)N
InChI
InChI=1S/C12H16N2O4/c13-9(6-8-4-2-1-3-5-8)11(16)14-10(7-15)12(17)18/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1
InChIKey
ROHDXJUFQVRDAV-UWVGGRQHSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3885
Patents

252.11101 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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