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]+ 242.14992 157.2
[M+Na]+ 264.13186 163.4
[M-H]- 240.13536 157.1
[M+NH4]+ 259.17646 173.1
[M+K]+ 280.10580 162.6
[M+H-H2O]+ 224.13990 150.2
[M+HCOO]- 286.14084 176.1
[M+CH3COO]- 300.15649 191.5
[M+Na-2H]- 262.11731 159.8
[M]+ 241.14209 158.9
[M]- 241.14319 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.