CID 155821624

(2r)-2-{[(tert-butoxy)carbonyl]amino}-3-(5-hydroxy-1h-pyrazol-4-yl)propanoic acid

Structural Information

Molecular Formula
C11H17N3O5
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CNNC1=O)C(=O)O
InChI
InChI=1S/C11H17N3O5/c1-11(2,3)19-10(18)13-7(9(16)17)4-6-5-12-14-8(6)15/h5,7H,4H2,1-3H3,(H,13,18)(H,16,17)(H2,12,14,15)/t7-/m1/s1
InChIKey
ONDQEBLLNXYKFM-SSDOTTSWSA-N
Compound name
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxo-1,2-dihydropyrazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.11682 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 160.9
[M+Na]+ 294.10604 166.0
[M-H]- 270.10954 158.1
[M+NH4]+ 289.15064 173.7
[M+K]+ 310.07998 164.3
[M+H-H2O]+ 254.11408 154.3
[M+HCOO]- 316.11502 176.5
[M+CH3COO]- 330.13067 190.7
[M+Na-2H]- 292.09149 161.7
[M]+ 271.11627 159.5
[M]- 271.11737 159.5
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.