CID 61157324

Hydroxyprolyl-methionine

Structural Information

Molecular Formula
C10H18N2O4S
SMILES
CSCCC(C(=O)O)NC(=O)C1CC(CN1)O
InChI
InChI=1S/C10H18N2O4S/c1-17-3-2-7(10(15)16)12-9(14)8-4-6(13)5-11-8/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKey
XTTZAXBOUXWPAU-UHFFFAOYSA-N
Compound name
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09872 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10600 160.6
[M+Na]+ 285.08794 163.5
[M-H]- 261.09144 157.9
[M+NH4]+ 280.13254 175.3
[M+K]+ 301.06188 160.7
[M+H-H2O]+ 245.09598 154.4
[M+HCOO]- 307.09692 170.6
[M+CH3COO]- 321.11257 188.8
[M+Na-2H]- 283.07339 156.4
[M]+ 262.09817 157.8
[M]- 262.09927 157.8
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.