CID 18218235

Pro-his

Structural Information

Molecular Formula
C11H16N4O3
SMILES
C1CC(NC1)C(=O)NC(CC2=CN=CN2)C(=O)O
InChI
InChI=1S/C11H16N4O3/c16-10(8-2-1-3-13-8)15-9(11(17)18)4-7-5-12-6-14-7/h5-6,8-9,13H,1-4H2,(H,12,14)(H,15,16)(H,17,18)
InChIKey
BEPSGCXDIVACBU-UHFFFAOYSA-N
Compound name
3-(1H-imidazol-5-yl)-2-(pyrrolidine-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

252.12224 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 157.4
[M+Na]+ 275.11146 160.0
[M-H]- 251.11496 155.9
[M+NH4]+ 270.15606 170.4
[M+K]+ 291.08540 157.4
[M+H-H2O]+ 235.11950 148.7
[M+HCOO]- 297.12044 172.1
[M+CH3COO]- 311.13609 186.4
[M+Na-2H]- 273.09691 155.8
[M]+ 252.12169 150.3
[M]- 252.12279 150.3
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

patents stripe