CID 3059110

76128-88-6

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CCCCCNCC1=CC=CC=C1O

InChI

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

InChIKey

YPAQYHCBPYDPLY-UHFFFAOYSA-N

Compound name

2-[(pentylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 193.14667 Da
Monoisotopic Mass: 2.8
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]+	194.153946	145.1
[M+Na]+	216.135888	150.8
[M-H]-	192.139394	146.9
[M+NH4]+	211.180493	163.8
[M+K]+	232.109828	147.7
[M+H-H2O]+	176.143930	138.8
[M+HCOO]-	238.144871	168.4
[M+CH3COO]-	252.160521	185.8
[M+Na-2H]-	214.121336	150.7
[M]+	193.14612142	145.2
[M]-	193.14721858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe