CID 18271

3046-94-4

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CCCCN(CCO)C1=CC=CC=C1

InChI

InChI=1S/C12H19NO/c1-2-3-9-13(10-11-14)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3

InChIKey

PMRRSCWLXKOMSK-UHFFFAOYSA-N

Compound name

2-(N-butylanilino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 193.14667 Da
Monoisotopic Mass: 3.0
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]+	194.15395	145.7
[M+Na]+	216.13589	150.7
[M-H]-	192.13939	148.7
[M+NH4]+	211.18049	164.8
[M+K]+	232.10983	148.9
[M+H-H2O]+	176.14393	139.1
[M+HCOO]-	238.14487	169.5
[M+CH3COO]-	252.16052	188.1
[M+Na-2H]-	214.12134	151.3
[M]+	193.14612	146.7
[M]-	193.14722	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe