CID 165727285

2248413-98-9

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC(C)(C)OC(=O)NCC1=C(C=NN1C)C(=O)O
InChI
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)12-6-8-7(9(15)16)5-13-14(8)4/h5H,6H2,1-4H3,(H,12,17)(H,15,16)
InChIKey
ROXRHDDMRVEJSM-UHFFFAOYSA-N
Compound name
1-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 158.1
[M+Na]+ 278.11112 165.3
[M-H]- 254.11462 158.4
[M+NH4]+ 273.15572 173.6
[M+K]+ 294.08506 164.5
[M+H-H2O]+ 238.11916 151.4
[M+HCOO]- 300.12010 177.3
[M+CH3COO]- 314.13575 194.1
[M+Na-2H]- 276.09657 160.2
[M]+ 255.12135 160.8
[M]- 255.12245 160.8
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.