CID 170945

50977-10-1

Structural Information

Molecular Formula

C₁₆H₃₅NO

SMILES

CC(C)CCCCCCCCCCOCCCN

InChI

InChI=1S/C16H35NO/c1-16(2)12-9-7-5-3-4-6-8-10-14-18-15-11-13-17/h16H,3-15,17H2,1-2H3

InChIKey

CUFBDUDYFHCIOH-UHFFFAOYSA-N

Compound name

3-(11-methyldodecoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 497
Patents: 257.27185 Da
Monoisotopic Mass: 5.3
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]+	258.279126	172.7
[M+Na]+	280.261068	174.6
[M-H]-	256.264574	170.6
[M+NH4]+	275.305673	189.3
[M+K]+	296.235008	172.3
[M+H-H2O]+	240.269110	165.9
[M+HCOO]-	302.270051	192.8
[M+CH3COO]-	316.285701	204.3
[M+Na-2H]-	278.246516	172.2
[M]+	257.27130142	176.7
[M]-	257.27239858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe