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

31
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 156.3
[M+Na]+ 272.06754 158.3
[M-H]- 248.07104 153.3
[M+NH4]+ 267.11214 170.6
[M+K]+ 288.04148 157.3
[M+H-H2O]+ 232.07558 149.1
[M+HCOO]- 294.07652 170.1
[M+CH3COO]- 308.09217 198.1
[M+Na-2H]- 270.05299 151.9
[M]+ 249.07777 153.9
[M]- 249.07887 153.9
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