CID 156908026

Glutaminylhydroxyproline

Structural Information

Molecular Formula
C10H17N3O5
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)[C@H](CCC(=O)N)N)O
InChI
InChI=1S/C10H17N3O5/c11-6(1-2-8(12)15)9(16)13-4-5(14)3-7(13)10(17)18/h5-7,14H,1-4,11H2,(H2,12,15)(H,17,18)/t5-,6+,7+/m1/s1
InChIKey
HNXKAWFNQGNMNH-VQVTYTSYSA-N
Compound name
(2S,4R)-1-[(2S)-2,5-diamino-5-oxopentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.11682 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12410 158.1
[M+Na]+ 282.10604 161.4
[M-H]- 258.10954 156.3
[M+NH4]+ 277.15064 172.2
[M+K]+ 298.07998 160.6
[M+H-H2O]+ 242.11408 151.4
[M+HCOO]- 304.11502 174.1
[M+CH3COO]- 318.13067 195.8
[M+Na-2H]- 280.09149 153.4
[M]+ 259.11627 152.5
[M]- 259.11737 152.5
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.