CID 12774420

Cysteinyl-proline

Structural Information

Molecular Formula
C8H14N2O3S
SMILES
C1CC(N(C1)C(=O)C(CS)N)C(=O)O
InChI
InChI=1S/C8H14N2O3S/c9-5(4-14)7(11)10-3-1-2-6(10)8(12)13/h5-6,14H,1-4,9H2,(H,12,13)
InChIKey
ZSRSLWKGWFFVCM-UHFFFAOYSA-N
Compound name
1-(2-amino-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

218.07251 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07979 149.4
[M+Na]+ 241.06173 154.3
[M-H]- 217.06523 149.4
[M+NH4]+ 236.10633 167.2
[M+K]+ 257.03567 152.8
[M+H-H2O]+ 201.06977 143.3
[M+HCOO]- 263.07071 162.2
[M+CH3COO]- 277.08636 184.8
[M+Na-2H]- 239.04718 145.6
[M]+ 218.07196 147.2
[M]- 218.07306 147.2
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