CID 83088702

1543655-27-1

Structural Information

Molecular Formula
C12H19N3O4
SMILES
CC1=NN(C=C1C(C(=O)O)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H19N3O4/c1-7-8(6-15(5)14-7)9(10(16)17)13-11(18)19-12(2,3)4/h6,9H,1-5H3,(H,13,18)(H,16,17)
InChIKey
QTWILOLIZPDDTK-UHFFFAOYSA-N
Compound name
2-(1,3-dimethylpyrazol-4-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]+ 270.14482 162.1
[M+Na]+ 292.12676 168.7
[M-H]- 268.13026 162.4
[M+NH4]+ 287.17136 177.0
[M+K]+ 308.10070 168.3
[M+H-H2O]+ 252.13480 155.5
[M+HCOO]- 314.13574 180.1
[M+CH3COO]- 328.15139 198.1
[M+Na-2H]- 290.11221 162.7
[M]+ 269.13699 164.7
[M]- 269.13809 164.7
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.