CID 155820910

Tert-butyl n-[(5-bromo-1-methyl-1h-pyrazol-4-yl)methyl]carbamate

Structural Information

Molecular Formula
C10H16BrN3O2
SMILES
CC(C)(C)OC(=O)NCC1=C(N(N=C1)C)Br
InChI
InChI=1S/C10H16BrN3O2/c1-10(2,3)16-9(15)12-5-7-6-13-14(4)8(7)11/h6H,5H2,1-4H3,(H,12,15)
InChIKey
KLQMBGGWHKDJJG-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-bromo-1-methylpyrazol-4-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0426 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.049876 158.8
[M+Na]+ 312.031818 170.3
[M-H]- 288.035324 163.0
[M+NH4]+ 307.076423 177.6
[M+K]+ 328.005758 159.9
[M+H-H2O]+ 272.039860 157.4
[M+HCOO]- 334.040801 177.9
[M+CH3COO]- 348.056451 198.7
[M+Na-2H]- 310.017266 163.7
[M]+ 289.04205142 179.8
[M]- 289.04314858 179.8
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

No patent data available for this compound.