CID 12774420

Cysteylproline

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.07979	149.1
[M+Na]+	241.06173	154.2
[M+NH4]+	236.10633	154.7
[M+K]+	257.03567	152.2
[M-H]-	217.06523	147.2
[M+Na-2H]-	239.04718	148.8
[M]+	218.07196	149.0
[M]-	218.07306	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe