CID 117859552

1654723-08-6

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC(C)(C)OC(=O)NC1=NN(C=C1C(=O)O)C
InChI
InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)11-7-6(8(14)15)5-13(4)12-7/h5H,1-4H3,(H,14,15)(H,11,12,16)
InChIKey
PCLCSLYRVSPJKB-UHFFFAOYSA-N
Compound name
1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

241.10626 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 153.5
[M+Na]+ 264.09548 161.2
[M-H]- 240.09898 154.0
[M+NH4]+ 259.14008 169.6
[M+K]+ 280.06942 160.6
[M+H-H2O]+ 224.10352 147.0
[M+HCOO]- 286.10446 173.1
[M+CH3COO]- 300.12011 191.1
[M+Na-2H]- 262.08093 156.1
[M]+ 241.10571 155.9
[M]- 241.10681 155.9
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