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

2
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

patents stripe