CID 3059785

77234-83-4

Structural Information

Molecular Formula

C₁₅H₂₀N₂O

SMILES

CC(C)(C)C1=CC=C(C=C1)C(CN2C=CN=C2)O

InChI

InChI=1S/C15H20N2O/c1-15(2,3)13-6-4-12(5-7-13)14(18)10-17-9-8-16-11-17/h4-9,11,14,18H,10H2,1-3H3

InChIKey

XVDCESAYHTYKTJ-UHFFFAOYSA-N

Compound name

1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 244.15756 Da
Monoisotopic Mass: 2.9
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]+	245.16484	158.7
[M+Na]+	267.14678	170.7
[M+NH4]+	262.19138	166.0
[M+K]+	283.12072	166.7
[M-H]-	243.15028	160.4
[M+Na-2H]-	265.13223	165.7
[M]+	244.15701	160.9
[M]-	244.15811	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe