CID 152322

Histidylproline

Structural Information

Molecular Formula
C11H16N4O3
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)N)C(=O)O
InChI
InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)/t8-,9-/m0/s1
InChIKey
LNCFUHAPNTYMJB-IUCAKERBSA-N
Compound name
(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

3069
Patents

252.12224 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.129516 157.7
[M+Na]+ 275.111458 161.7
[M-H]- 251.114964 157.4
[M+NH4]+ 270.156063 171.5
[M+K]+ 291.085398 159.5
[M+H-H2O]+ 235.119500 149.2
[M+HCOO]- 297.120441 173.2
[M+CH3COO]- 311.136091 189.4
[M+Na-2H]- 273.096906 154.8
[M]+ 252.12169142 151.9
[M]- 252.12278858 151.9
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