CID 53860028

(2s,3r)-3-hydroxy-2-{[(2s)-pyrrolidin-2-yl]formamido}butanoic acid hydrochloride

Structural Information

Molecular Formula
C9H16N2O4
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1)O
InChI
InChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1
InChIKey
GVUVRRPYYDHHGK-VQVTYTSYSA-N
Compound name
(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4855
Patents

216.11101 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11829 150.3
[M+Na]+ 239.10023 152.6
[M-H]- 215.10373 147.6
[M+NH4]+ 234.14483 165.9
[M+K]+ 255.07417 151.6
[M+H-H2O]+ 199.10827 143.9
[M+HCOO]- 261.10921 165.0
[M+CH3COO]- 275.12486 181.8
[M+Na-2H]- 237.08568 148.3
[M]+ 216.11046 143.7
[M]- 216.11156 143.7
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.