CID 165880153

2839157-04-7

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC(C)(C)OC(=O)NC1CC(C1)N2C=C(C=N2)C(=O)O
InChI
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-9-4-10(5-9)16-7-8(6-14-16)11(17)18/h6-7,9-10H,4-5H2,1-3H3,(H,15,19)(H,17,18)
InChIKey
TUYCDUGARICYJE-UHFFFAOYSA-N
Compound name
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.13754 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 167.2
[M+Na]+ 304.12676 170.6
[M-H]- 280.13026 169.8
[M+NH4]+ 299.17136 174.5
[M+K]+ 320.10070 172.8
[M+H-H2O]+ 264.13480 154.1
[M+HCOO]- 326.13574 183.5
[M+CH3COO]- 340.15139 201.2
[M+Na-2H]- 302.11221 167.2
[M]+ 281.13699 176.0
[M]- 281.13809 176.0
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.