CID 3015422

Dodecylaniline

Structural Information

Molecular Formula

C₁₈H₃₁N

SMILES

CCCCCCCCCCCCC1=CC=CC=C1N

InChI

InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16H,2-11,14,19H2,1H3

InChIKey

SOANRMMGFPUDDF-UHFFFAOYSA-N

Compound name

2-dodecylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1227
Patents: 261.24564 Da
Monoisotopic Mass: 7.2
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]+	262.252916	169.2
[M+Na]+	284.234858	172.9
[M-H]-	260.238364	170.8
[M+NH4]+	279.279463	185.7
[M+K]+	300.208798	168.3
[M+H-H2O]+	244.242900	161.8
[M+HCOO]-	306.243841	191.1
[M+CH3COO]-	320.259491	203.9
[M+Na-2H]-	282.220306	171.1
[M]+	261.24509142	171.0
[M]-	261.24618858	171.0

Literature stripe

literature stripe

Patent stripe

patents stripe