CID 25227058

H-ala-hyp-oh

Structural Information

Molecular Formula
C8H14N2O4
SMILES
C[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)O)O)N
InChI
InChI=1S/C8H14N2O4/c1-4(9)7(12)10-3-5(11)2-6(10)8(13)14/h4-6,11H,2-3,9H2,1H3,(H,13,14)/t4-,5+,6-/m0/s1
InChIKey
KYHSUPXEBSYFGK-JKUQZMGJSA-N
Compound name
(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

202.09535 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 144.5
[M+Na]+ 225.08457 149.8
[M-H]- 201.08807 143.6
[M+NH4]+ 220.12917 161.9
[M+K]+ 241.05851 149.0
[M+H-H2O]+ 185.09261 138.8
[M+HCOO]- 247.09355 161.5
[M+CH3COO]- 261.10920 182.2
[M+Na-2H]- 223.07002 142.4
[M]+ 202.09480 139.9
[M]- 202.09590 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe