CID 54471413

Gln-cys

Structural Information

Molecular Formula
C8H15N3O4S
SMILES
C(CC(=O)N)[C@@H](C(=O)N[C@@H](CS)C(=O)O)N
InChI
InChI=1S/C8H15N3O4S/c9-4(1-2-6(10)12)7(13)11-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1
InChIKey
XIPZDANNDPMZGQ-WHFBIAKZSA-N
Compound name
(2R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1125
Patents

249.07832 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08560 156.1
[M+Na]+ 272.06754 157.8
[M+NH4]+ 267.11214 159.2
[M+K]+ 288.04148 156.5
[M-H]- 248.07104 152.3
[M+Na-2H]- 270.05299 153.6
[M]+ 249.07777 154.6
[M]- 249.07887 154.6
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