CID 40271

52176-56-4

Structural Information

Molecular Formula

C₁₄H₂₄NO

SMILES

CC[N+](CC)(CC)CCOC1=CC=CC=C1

InChI

InChI=1S/C14H24NO/c1-4-15(5-2,6-3)12-13-16-14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3/q+1

InChIKey

YHXCBJLQOJZNRM-UHFFFAOYSA-N

Compound name

triethyl(2-phenoxyethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 222.18579 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]+	223.193066	153.2
[M+Na]+	245.175008	158.4
[M-H]-	221.178514	157.7
[M+NH4]+	240.219613	172.0
[M+K]+	261.148948	151.3
[M+H-H2O]+	205.183050	149.4
[M+HCOO]-	267.183991	176.8
[M+CH3COO]-	281.199641	189.9
[M+Na-2H]-	243.160456	162.4
[M]+	222.18524142	155.4
[M]-	222.18633858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe