CID 165723491

Tert-butyl n-[2-hydroxy-1-(1-methyl-1h-pyrazol-4-yl)ethyl]carbamate

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CC(C)(C)OC(=O)NC(CO)C1=CN(N=C1)C
InChI
InChI=1S/C11H19N3O3/c1-11(2,3)17-10(16)13-9(7-15)8-5-12-14(4)6-8/h5-6,9,15H,7H2,1-4H3,(H,13,16)
InChIKey
IVXJUHVKCHQJIR-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14264 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.149916 157.2
[M+Na]+ 264.131858 163.4
[M-H]- 240.135364 157.1
[M+NH4]+ 259.176463 173.1
[M+K]+ 280.105798 162.6
[M+H-H2O]+ 224.139900 150.2
[M+HCOO]- 286.140841 176.1
[M+CH3COO]- 300.156491 191.5
[M+Na-2H]- 262.117306 159.8
[M]+ 241.14209142 158.9
[M]- 241.14318858 158.9
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.