CID 63842847

Yhp dipeptide

Structural Information

Molecular Formula
C14H18N2O5
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)[C@H](CC2=CC=C(C=C2)O)N)O
InChI
InChI=1S/C14H18N2O5/c15-11(5-8-1-3-9(17)4-2-8)13(19)16-7-10(18)6-12(16)14(20)21/h1-4,10-12,17-18H,5-7,15H2,(H,20,21)/t10-,11+,12+/m1/s1
InChIKey
FTWOPDCJCRFTHX-WOPDTQHZSA-N
Compound name
(2S,4R)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

294.12158 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12886 166.6
[M+Na]+ 317.11080 170.6
[M-H]- 293.11430 167.5
[M+NH4]+ 312.15540 179.3
[M+K]+ 333.08474 168.0
[M+H-H2O]+ 277.11884 159.6
[M+HCOO]- 339.11978 181.7
[M+CH3COO]- 353.13543 197.5
[M+Na-2H]- 315.09625 163.0
[M]+ 294.12103 161.8
[M]- 294.12213 161.8
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