CID 9900059

Histidinyl-hydroxyproline

Structural Information

Molecular Formula
C11H16N4O4
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)[C@H](CC2=CN=CN2)N)O
InChI
InChI=1S/C11H16N4O4/c12-8(1-6-3-13-5-14-6)10(17)15-4-7(16)2-9(15)11(18)19/h3,5,7-9,16H,1-2,4,12H2,(H,13,14)(H,18,19)/t7-,8+,9+/m1/s1
InChIKey
WEUKYXZXBBLBOY-VGMNWLOBSA-N
Compound name
(2S,4R)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11716 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12444 160.3
[M+Na]+ 291.10638 164.6
[M-H]- 267.10988 159.2
[M+NH4]+ 286.15098 173.0
[M+K]+ 307.08032 162.3
[M+H-H2O]+ 251.11442 152.4
[M+HCOO]- 313.11536 174.6
[M+CH3COO]- 327.13101 190.8
[M+Na-2H]- 289.09183 156.6
[M]+ 268.11661 154.5
[M]- 268.11771 154.5
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.