CID 165873025

2352023-62-0

Structural Information

Molecular Formula
C12H19N3O4
SMILES
CCN1C(=CC=N1)C(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H19N3O4/c1-5-15-8(6-7-13-15)9(10(16)17)14-11(18)19-12(2,3)4/h6-7,9H,5H2,1-4H3,(H,14,18)(H,16,17)
InChIKey
INNXZEGGQDFFPC-UHFFFAOYSA-N
Compound name
2-(2-ethylpyrazol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.13754 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.144816 162.7
[M+Na]+ 292.126758 168.3
[M-H]- 268.130264 162.5
[M+NH4]+ 287.171363 177.2
[M+K]+ 308.100698 167.9
[M+H-H2O]+ 252.134800 155.7
[M+HCOO]- 314.135741 180.7
[M+CH3COO]- 328.151391 196.7
[M+Na-2H]- 290.112206 163.9
[M]+ 269.13699142 164.8
[M]- 269.13808858 164.8
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.