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

18
Patents

241.10626 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 153.5
[M+Na]+ 264.095478 161.2
[M-H]- 240.098984 154.0
[M+NH4]+ 259.140083 169.6
[M+K]+ 280.069418 160.6
[M+H-H2O]+ 224.103520 147.0
[M+HCOO]- 286.104461 173.1
[M+CH3COO]- 300.120111 191.1
[M+Na-2H]- 262.080926 156.1
[M]+ 241.10571142 155.9
[M]- 241.10680858 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