CID 15942661

N-[(benzyloxy)carbonyl]-l-cysteinylglycine

Structural Information

Molecular Formula
C13H16N2O5S
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CS)C(=O)NCC(=O)O
InChI
InChI=1S/C13H16N2O5S/c16-11(17)6-14-12(18)10(8-21)15-13(19)20-7-9-4-2-1-3-5-9/h1-5,10,21H,6-8H2,(H,14,18)(H,15,19)(H,16,17)/t10-/m0/s1
InChIKey
DHTSUHYTYUXMOL-JTQLQIEISA-N
Compound name
2-[[(2R)-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

312.078 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08528 170.6
[M+Na]+ 335.06722 173.1
[M-H]- 311.07072 171.8
[M+NH4]+ 330.11182 183.3
[M+K]+ 351.04116 171.1
[M+H-H2O]+ 295.07526 162.7
[M+HCOO]- 357.07620 186.3
[M+CH3COO]- 371.09185 204.0
[M+Na-2H]- 333.05267 170.0
[M]+ 312.07745 172.7
[M]- 312.07855 172.7
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