CID 18218195

Cysteinyl-glutamine

Structural Information

Molecular Formula
C8H15N3O4S
SMILES
C(CC(=O)N)C(C(=O)O)NC(=O)C(CS)N
InChI
InChI=1S/C8H15N3O4S/c9-4(3-16)7(13)11-5(8(14)15)1-2-6(10)12/h4-5,16H,1-3,9H2,(H2,10,12)(H,11,13)(H,14,15)
InChIKey
YHDXIZKDOIWPBW-UHFFFAOYSA-N
Compound name
5-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

249.07832 Da
Monoisotopic Mass

-4.0
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

No literature data available for this compound.

Patent stripe

patents stripe