CID 165889177

Tert-butyl n-[5-(2-hydroxyethoxy)pyridin-2-yl]carbamate

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC(C)(C)OC(=O)NC1=NC=C(C=C1)OCCO
InChI
InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-10-5-4-9(8-13-10)17-7-6-15/h4-5,8,15H,6-7H2,1-3H3,(H,13,14,16)
InChIKey
DMAXICVHTVSHKD-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(2-hydroxyethoxy)-2-pyridinyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 158.3
[M+Na]+ 277.115878 164.4
[M-H]- 253.119384 159.2
[M+NH4]+ 272.160483 173.2
[M+K]+ 293.089818 163.3
[M+H-H2O]+ 237.123920 151.3
[M+HCOO]- 299.124861 178.7
[M+CH3COO]- 313.140511 193.1
[M+Na-2H]- 275.101326 163.8
[M]+ 254.12611142 161.2
[M]- 254.12720858 161.2
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

No patent data available for this compound.