CID 10804951

174180-42-8

Structural Information

Molecular Formula
C13H15BrN2O2
SMILES
CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=N1)CBr
InChI
InChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)16-11-7-5-4-6-9(11)10(8-14)15-16/h4-7H,8H2,1-3H3
InChIKey
UKADXNQNCAFGTF-UHFFFAOYSA-N
Compound name
tert-butyl 3-(bromomethyl)indazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

310.03168 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03896 164.6
[M+Na]+ 333.02090 177.9
[M-H]- 309.02440 170.0
[M+NH4]+ 328.06550 184.1
[M+K]+ 348.99484 167.0
[M+H-H2O]+ 293.02894 164.1
[M+HCOO]- 355.02988 183.1
[M+CH3COO]- 369.04553 199.8
[M+Na-2H]- 331.00635 171.2
[M]+ 310.03113 187.8
[M]- 310.03223 187.8
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