CID 165995309

7-{[(tert-butoxy)carbonyl]amino}-4,5,6,7-tetrahydro-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC(C)(C)OC(=O)NC1CCCC2=C1NN=C2C(=O)O
InChI
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)14-8-6-4-5-7-9(8)15-16-10(7)11(17)18/h8H,4-6H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)
InChIKey
ZKARWCMPLSVOFX-UHFFFAOYSA-N
Compound name
7-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.13754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 165.3
[M+Na]+ 304.12676 170.5
[M-H]- 280.13026 164.3
[M+NH4]+ 299.17136 179.7
[M+K]+ 320.10070 168.3
[M+H-H2O]+ 264.13480 158.9
[M+HCOO]- 326.13574 179.3
[M+CH3COO]- 340.15139 196.2
[M+Na-2H]- 302.11221 167.3
[M]+ 281.13699 163.1
[M]- 281.13809 163.1
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.