CID 9834371

(2s)-1-[(2s,3r)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C9H16N2O4
SMILES
C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)N)O
InChI
InChI=1S/C9H16N2O4/c1-5(12)7(10)8(13)11-4-2-3-6(11)9(14)15/h5-7,12H,2-4,10H2,1H3,(H,14,15)/t5-,6+,7+/m1/s1
InChIKey
QOLYAJSZHIJCTO-VQVTYTSYSA-N
Compound name
(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4523
Patents

216.11101 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11829 149.7
[M+Na]+ 239.10023 153.3
[M-H]- 215.10373 148.3
[M+NH4]+ 234.14483 166.1
[M+K]+ 255.07417 152.9
[M+H-H2O]+ 199.10827 143.5
[M+HCOO]- 261.10921 165.3
[M+CH3COO]- 275.12486 184.9
[M+Na-2H]- 237.08568 146.5
[M]+ 216.11046 144.4
[M]- 216.11156 144.4
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