CID 218242

Verbindungen 335 [german]

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

CCCCN1C=C(N=C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C13H16N2O/c1-2-3-8-15-9-13(14-10-15)11-4-6-12(16)7-5-11/h4-7,9-10,16H,2-3,8H2,1H3

InChIKey

WYLMHEXTYHPVRI-UHFFFAOYSA-N

Compound name

4-(1-butylimidazol-4-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.12627 Da
Monoisotopic Mass: 2.5
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]+	217.13355	149.0
[M+Na]+	239.11549	157.4
[M-H]-	215.11899	151.9
[M+NH4]+	234.16009	166.2
[M+K]+	255.08943	153.3
[M+H-H2O]+	199.12353	140.9
[M+HCOO]-	261.12447	170.6
[M+CH3COO]-	275.14012	186.0
[M+Na-2H]-	237.10094	153.1
[M]+	216.12572	149.9
[M]-	216.12682	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe