CID 22831863

1-boc-indazole-5-carboxaldehyde

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C=O)C=N1
InChI
InChI=1S/C13H14N2O3/c1-13(2,3)18-12(17)15-11-5-4-9(8-16)6-10(11)7-14-15/h4-8H,1-3H3
InChIKey
OXWGPXBJKZYTIF-UHFFFAOYSA-N
Compound name
tert-butyl 5-formylindazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

246.10045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 155.3
[M+Na]+ 269.08967 165.9
[M-H]- 245.09317 158.2
[M+NH4]+ 264.13427 173.5
[M+K]+ 285.06361 163.4
[M+H-H2O]+ 229.09771 148.6
[M+HCOO]- 291.09865 176.4
[M+CH3COO]- 305.11430 191.7
[M+Na-2H]- 267.07512 161.3
[M]+ 246.09990 161.0
[M]- 246.10100 161.0
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

patents stripe