CID 12285056

4-[(butylamino)methyl]phenol hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CCCCNCC1=CC=C(C=C1)O

InChI

InChI=1S/C11H17NO/c1-2-3-8-12-9-10-4-6-11(13)7-5-10/h4-7,12-13H,2-3,8-9H2,1H3

InChIKey

JFLBZGZQRGKIGA-UHFFFAOYSA-N

Compound name

4-(butylaminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 179.13101 Da
Monoisotopic Mass: 2.2
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]+	180.13829	140.7
[M+Na]+	202.12023	152.4
[M+NH4]+	197.16483	149.2
[M+K]+	218.09417	145.2
[M-H]-	178.12373	143.4
[M+Na-2H]-	200.10568	147.4
[M]+	179.13046	143.0
[M]-	179.13156	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe