CID 156908025

Asparaginyl-hydroxyproline

Structural Information

Molecular Formula
C9H15N3O5
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)[C@H](CC(=O)N)N)O
InChI
InChI=1S/C9H15N3O5/c10-5(2-7(11)14)8(15)12-3-4(13)1-6(12)9(16)17/h4-6,13H,1-3,10H2,(H2,11,14)(H,16,17)/t4-,5+,6+/m1/s1
InChIKey
LMVFAFXAMGAFOO-SRQIZXRXSA-N
Compound name
(2S,4R)-1-[(2S)-2,4-diamino-4-oxobutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

245.10117 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10845 154.1
[M+Na]+ 268.09039 156.6
[M+NH4]+ 263.13499 156.5
[M+K]+ 284.06433 159.6
[M-H]- 244.09389 150.1
[M+Na-2H]- 266.07584 151.4
[M]+ 245.10062 152.1
[M]- 245.10172 152.1
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

No patent data available for this compound.