CID 134818198

Tert-butyl n-(3-bromo-1h-pyrazol-5-yl)carbamate

Structural Information

Molecular Formula
C8H12BrN3O2
SMILES
CC(C)(C)OC(=O)NC1=NNC(=C1)Br
InChI
InChI=1S/C8H12BrN3O2/c1-8(2,3)14-7(13)10-6-4-5(9)11-12-6/h4H,1-3H3,(H2,10,11,12,13)
InChIKey
IRKPRVYCSMKSDA-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-bromo-1H-pyrazol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

261.0113 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01858 151.0
[M+Na]+ 284.00052 162.0
[M-H]- 260.00402 153.9
[M+NH4]+ 279.04512 169.9
[M+K]+ 299.97446 151.3
[M+H-H2O]+ 244.00856 149.9
[M+HCOO]- 306.00950 169.3
[M+CH3COO]- 320.02515 189.5
[M+Na-2H]- 281.98597 157.1
[M]+ 261.01075 169.2
[M]- 261.01185 169.2
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