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 153.6
[M+Na]+ 268.09039 157.4
[M-H]- 244.09389 152.1
[M+NH4]+ 263.13499 168.3
[M+K]+ 284.06433 156.8
[M+H-H2O]+ 228.09843 147.1
[M+HCOO]- 290.09937 170.0
[M+CH3COO]- 304.11502 192.8
[M+Na-2H]- 266.07584 149.4
[M]+ 245.10062 147.7
[M]- 245.10172 147.7
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.