CID 15018196

146985-51-5

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=NN1)C(=O)O
InChI
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)6-7-4-5-12-14-7/h4-5,8H,6H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)
InChIKey
UMXPSJKQFGBTLO-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 159.1
[M+Na]+ 278.11112 163.7
[M-H]- 254.11462 157.3
[M+NH4]+ 273.15572 173.1
[M+K]+ 294.08506 162.7
[M+H-H2O]+ 238.11916 152.0
[M+HCOO]- 300.12010 175.9
[M+CH3COO]- 314.13575 190.1
[M+Na-2H]- 276.09657 160.9
[M]+ 255.12135 158.5
[M]- 255.12245 158.5
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.