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

7
Patents

261.0113 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.018576 151.0
[M+Na]+ 284.000518 162.0
[M-H]- 260.004024 153.9
[M+NH4]+ 279.045123 169.9
[M+K]+ 299.974458 151.3
[M+H-H2O]+ 244.008560 149.9
[M+HCOO]- 306.009501 169.3
[M+CH3COO]- 320.025151 189.5
[M+Na-2H]- 281.985966 157.1
[M]+ 261.01075142 169.2
[M]- 261.01184858 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