CID 34176514

4-amino-1h-indazole, n1-boc protected

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC(C)(C)OC(=O)N1C2=CC=CC(=C2C=N1)N
InChI
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-6-4-5-9(13)8(10)7-14-15/h4-7H,13H2,1-3H3
InChIKey
LBOHJOLQKZNKFB-UHFFFAOYSA-N
Compound name
tert-butyl 4-aminoindazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

233.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 153.3
[M+Na]+ 256.10564 163.3
[M-H]- 232.10914 155.9
[M+NH4]+ 251.15024 171.6
[M+K]+ 272.07958 160.7
[M+H-H2O]+ 216.11368 146.5
[M+HCOO]- 278.11462 174.9
[M+CH3COO]- 292.13027 191.8
[M+Na-2H]- 254.09109 159.2
[M]+ 233.11587 156.2
[M]- 233.11697 156.2
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