CID 155641229

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

Structural Information

Molecular Formula
C10H16BrN3O2
SMILES
CC(C)(C)OC(=O)NCC1=NN(C(=C1)Br)C
InChI
InChI=1S/C10H16BrN3O2/c1-10(2,3)16-9(15)12-6-7-5-8(11)14(4)13-7/h5H,6H2,1-4H3,(H,12,15)
InChIKey
APJVVWMCQRIKEJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-bromo-1-methylpyrazol-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

289.0426 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04988 158.8
[M+Na]+ 312.03182 170.3
[M-H]- 288.03532 163.0
[M+NH4]+ 307.07642 177.6
[M+K]+ 328.00576 159.9
[M+H-H2O]+ 272.03986 157.4
[M+HCOO]- 334.04080 177.9
[M+CH3COO]- 348.05645 198.7
[M+Na-2H]- 310.01727 163.7
[M]+ 289.04205 179.8
[M]- 289.04315 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

patents stripe