CID 111737

11-methyl-n-propyldodecan-1-amine

Structural Information

Molecular Formula

C₁₆H₃₅N

SMILES

CCCNCCCCCCCCCCC(C)C

InChI

InChI=1S/C16H35N/c1-4-14-17-15-12-10-8-6-5-7-9-11-13-16(2)3/h16-17H,4-15H2,1-3H3

InChIKey

CVZRBKATNMXYIN-UHFFFAOYSA-N

Compound name

11-methyl-N-propyldodecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 241.27695 Da
Monoisotopic Mass: 6.5
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]+	242.284226	169.4
[M+Na]+	264.266168	171.3
[M-H]-	240.269674	167.8
[M+NH4]+	259.310773	186.9
[M+K]+	280.240108	168.9
[M+H-H2O]+	224.274210	162.8
[M+HCOO]-	286.275151	189.8
[M+CH3COO]-	300.290801	203.2
[M+Na-2H]-	262.251616	170.0
[M]+	241.27640142	173.0
[M]-	241.27749858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe