CID 10176113

4532-96-1

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CC(C)N1C=CN=C1

InChI

InChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3

InChIKey

IPIORGCOGQZEHO-UHFFFAOYSA-N

Compound name

1-propan-2-ylimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3107
Patents: 110.0844 Da
Monoisotopic Mass: 0.6
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]+	111.091676	121.3
[M+Na]+	133.073618	129.7
[M-H]-	109.077124	122.3
[M+NH4]+	128.118223	143.3
[M+K]+	149.047558	129.3
[M+H-H2O]+	93.081660	114.6
[M+HCOO]-	155.082601	144.0
[M+CH3COO]-	169.098251	168.8
[M+Na-2H]-	131.059066	127.5
[M]+	110.08385142	121.2
[M]-	110.08494858	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe