CID 131532105

2091061-17-3

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC(C)(C)OC(=O)NCC1=NN(C=C1C(=O)O)C
InChI
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)12-5-8-7(9(15)16)6-14(4)13-8/h6H,5H2,1-4H3,(H,12,17)(H,15,16)
InChIKey
JXAIUMWHVKVFBC-UHFFFAOYSA-N
Compound name
1-methyl-3-[[(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 157.8
[M+Na]+ 278.11112 164.8
[M+NH4]+ 273.15572 161.4
[M+K]+ 294.08506 165.2
[M-H]- 254.11462 154.6
[M+Na-2H]- 276.09657 159.0
[M]+ 255.12135 157.3
[M]- 255.12245 157.3
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.