CID 63844213

Mhp dipeptide

Structural Information

Molecular Formula
C10H18N2O4S
SMILES
CSCC[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)O)O)N
InChI
InChI=1S/C10H18N2O4S/c1-17-3-2-7(11)9(14)12-5-6(13)4-8(12)10(15)16/h6-8,13H,2-5,11H2,1H3,(H,15,16)/t6-,7+,8+/m1/s1
InChIKey
SQTUSSZUUTULQX-CSMHCCOUSA-N
Compound name
(2S,4R)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09872 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10600 160.4
[M+Na]+ 285.08794 164.6
[M-H]- 261.09144 158.9
[M+NH4]+ 280.13254 175.8
[M+K]+ 301.06188 162.3
[M+H-H2O]+ 245.09598 154.4
[M+HCOO]- 307.09692 171.2
[M+CH3COO]- 321.11257 191.9
[M+Na-2H]- 283.07339 155.0
[M]+ 262.09817 158.9
[M]- 262.09927 158.9
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.