CID 131750765

Hydroxyprolyl-cysteine

Structural Information

Molecular Formula
C8H14N2O4S
SMILES
C1C(CNC1C(=O)NC(CS)C(=O)O)O
InChI
InChI=1S/C8H14N2O4S/c11-4-1-5(9-2-4)7(12)10-6(3-15)8(13)14/h4-6,9,11,15H,1-3H2,(H,10,12)(H,13,14)
InChIKey
DTCRAYVKSFZQIQ-UHFFFAOYSA-N
Compound name
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06743 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07471 152.1
[M+Na]+ 257.05665 155.9
[M-H]- 233.06015 149.7
[M+NH4]+ 252.10125 167.9
[M+K]+ 273.03059 153.5
[M+H-H2O]+ 217.06469 146.2
[M+HCOO]- 279.06563 162.7
[M+CH3COO]- 293.08128 182.9
[M+Na-2H]- 255.04210 148.8
[M]+ 234.06688 148.6
[M]- 234.06798 148.6
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.