CID 4099579

Alpha-(4-ethylanilino)-o-cresol

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

CCC1=CC=C(C=C1)NCC2=CC=CC=C2O

InChI

InChI=1S/C15H17NO/c1-2-12-7-9-14(10-8-12)16-11-13-5-3-4-6-15(13)17/h3-10,16-17H,2,11H2,1H3

InChIKey

RFGRIRIWUJHVMN-UHFFFAOYSA-N

Compound name

2-[(4-ethylanilino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 227.13101 Da
Monoisotopic Mass: 3.8
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]+	228.13829	151.5
[M+Na]+	250.12023	158.3
[M-H]-	226.12373	157.0
[M+NH4]+	245.16483	168.7
[M+K]+	266.09417	153.7
[M+H-H2O]+	210.12827	144.2
[M+HCOO]-	272.12921	175.3
[M+CH3COO]-	286.14486	191.6
[M+Na-2H]-	248.10568	157.6
[M]+	227.13046	150.6
[M]-	227.13156	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe