CID 10355684

Phe-cys

Structural Information

Molecular Formula
C12H16N2O3S
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CS)C(=O)O)N
InChI
InChI=1S/C12H16N2O3S/c13-9(6-8-4-2-1-3-5-8)11(15)14-10(7-18)12(16)17/h1-5,9-10,18H,6-7,13H2,(H,14,15)(H,16,17)/t9-,10-/m0/s1
InChIKey
KNPVDQMEHSCAGX-UWVGGRQHSA-N
Compound name
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

268.08817 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09545 160.2
[M+Na]+ 291.07739 166.6
[M+NH4]+ 286.12199 165.8
[M+K]+ 307.05133 162.0
[M-H]- 267.08089 160.4
[M+Na-2H]- 289.06284 162.9
[M]+ 268.08762 161.1
[M]- 268.08872 161.1
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

patents stripe