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
3
Annotation Hits

19
References

2386
Patents

252.12224 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 157.3
[M+Na]+ 275.11146 162.4
[M+NH4]+ 270.15606 161.0
[M+K]+ 291.08540 164.9
[M-H]- 251.11496 155.1
[M+Na-2H]- 273.09691 158.3
[M]+ 252.12169 156.5
[M]- 252.12279 156.5
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