CID 439498

Cysteinylglycine

Structural Information

Molecular Formula
C5H10N2O3S
SMILES
C([C@@H](C(=O)NCC(=O)O)N)S
InChI
InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1
InChIKey
ZUKPVRWZDMRIEO-VKHMYHEASA-N
Compound name
2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

446
References

7025
Patents

178.04121 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04849 137.4
[M+Na]+ 201.03043 142.2
[M-H]- 177.03393 135.6
[M+NH4]+ 196.07503 155.7
[M+K]+ 217.00437 141.0
[M+H-H2O]+ 161.03847 131.5
[M+HCOO]- 223.03941 153.5
[M+CH3COO]- 237.05506 180.8
[M+Na-2H]- 199.01588 137.0
[M]+ 178.04066 136.4
[M]- 178.04176 136.4
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

No patent data available for this compound.