CID 57481585

1312784-89-6

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)N=CN2C

InChI

InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-5-10-9(7-15)13-8-14(10)4/h8H,5-7H2,1-4H3

InChIKey

DUMAWKAQTHEMJF-UHFFFAOYSA-N

Compound name

tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 237.14772 Da
Monoisotopic Mass: 0.8
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]+	238.154996	157.9
[M+Na]+	260.136938	165.7
[M-H]-	236.140444	158.3
[M+NH4]+	255.181543	174.9
[M+K]+	276.110878	164.0
[M+H-H2O]+	220.144980	150.6
[M+HCOO]-	282.145921	173.3
[M+CH3COO]-	296.161571	191.4
[M+Na-2H]-	258.122386	161.2
[M]+	237.14717142	158.7
[M]-	237.14826858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe