CID 140079468

Chp dipeptide

Structural Information

Molecular Formula
C8H14N2O4S
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)[C@H](CS)N)O
InChI
InChI=1S/C8H14N2O4S/c9-5(3-15)7(12)10-2-4(11)1-6(10)8(13)14/h4-6,11,15H,1-3,9H2,(H,13,14)/t4-,5+,6+/m1/s1
InChIKey
JQNFSWJEERESHM-SRQIZXRXSA-N
Compound name
(2S,4R)-1-[(2R)-2-amino-3-sulfanylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06743 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07471 151.8
[M+Na]+ 257.05665 156.9
[M-H]- 233.06015 150.7
[M+NH4]+ 252.10125 168.3
[M+K]+ 273.03059 155.0
[M+H-H2O]+ 217.06469 146.1
[M+HCOO]- 279.06563 163.2
[M+CH3COO]- 293.08128 186.0
[M+Na-2H]- 255.04210 147.2
[M]+ 234.06688 149.6
[M]- 234.06798 149.6
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.