CID 82089

7617-82-5

Structural Information

Molecular Formula

C₁₇H₃₇NO

SMILES

CCCCCCCCCCCCCCOCCCN

InChI

InChI=1S/C17H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h2-18H2,1H3

InChIKey

XIFDDGOEJJEZBQ-UHFFFAOYSA-N

Compound name

3-tetradecoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 635
Patents: 271.2875 Da
Monoisotopic Mass: 6.2
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]+	272.29478	175.8
[M+Na]+	294.27672	177.5
[M-H]-	270.28022	173.4
[M+NH4]+	289.32132	191.8
[M+K]+	310.25066	174.5
[M+H-H2O]+	254.28476	168.7
[M+HCOO]-	316.28570	196.6
[M+CH3COO]-	330.30135	206.6
[M+Na-2H]-	292.26217	176.2
[M]+	271.28695	180.9
[M]-	271.28805	180.9

Literature stripe

literature stripe

Patent stripe

patents stripe