CID 83642567

1522692-31-4

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CC(C)(C)C1=C(N2CCCCC2=N1)C(=O)O

InChI

InChI=1S/C12H18N2O2/c1-12(2,3)10-9(11(15)16)14-7-5-4-6-8(14)13-10/h4-7H2,1-3H3,(H,15,16)

InChIKey

YQUXGVMUGPHWLG-UHFFFAOYSA-N

Compound name

2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.13683 Da
Monoisotopic Mass: 2.3
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]+	223.144106	153.0
[M+Na]+	245.126048	160.2
[M-H]-	221.129554	153.3
[M+NH4]+	240.170653	171.1
[M+K]+	261.099988	157.7
[M+H-H2O]+	205.134090	146.8
[M+HCOO]-	267.135031	168.1
[M+CH3COO]-	281.150681	187.3
[M+Na-2H]-	243.111496	155.9
[M]+	222.13628142	151.5
[M]-	222.13737858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.