CID 11031933

219834-80-7

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃

SMILES

CC(C)(C)OC(=O)NC1=C(C=NC=C1)CCO

InChI

InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10-4-6-13-8-9(10)5-7-15/h4,6,8,15H,5,7H2,1-3H3,(H,13,14,16)

InChIKey

JPGIWDGEHZZRAD-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(2-hydroxyethyl)-4-pyridinyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 238.13174 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.139016	155.7
[M+Na]+	261.120958	162.0
[M-H]-	237.124464	156.7
[M+NH4]+	256.165563	171.4
[M+K]+	277.094898	160.2
[M+H-H2O]+	221.129000	148.9
[M+HCOO]-	283.129941	175.8
[M+CH3COO]-	297.145591	190.9
[M+Na-2H]-	259.106406	161.1
[M]+	238.13119142	157.2
[M]-	238.13228858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe