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

1413
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 161.5
[M+Na]+ 291.07739 164.5
[M-H]- 267.08089 162.4
[M+NH4]+ 286.12199 176.0
[M+K]+ 307.05133 161.8
[M+H-H2O]+ 251.08543 154.3
[M+HCOO]- 313.08637 176.3
[M+CH3COO]- 327.10202 198.3
[M+Na-2H]- 289.06284 159.9
[M]+ 268.08762 160.4
[M]- 268.08872 160.4
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