CID 42981

Laurocapram

Structural Information

Molecular Formula

C₁₈H₃₅NO

SMILES

CCCCCCCCCCCCN1CCCCCC1=O

InChI

InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20/h2-17H2,1H3

InChIKey

AXTGDCSMTYGJND-UHFFFAOYSA-N

Compound name

1-dodecylazepan-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 206
References: 52766
Patents: 281.27185 Da
Monoisotopic Mass: 5.9
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]+	282.27913	168.6
[M+Na]+	304.26107	168.6
[M-H]-	280.26457	169.4
[M+NH4]+	299.30567	182.0
[M+K]+	320.23501	169.4
[M+H-H2O]+	264.26911	160.8
[M+HCOO]-	326.27005	184.3
[M+CH3COO]-	340.28570	205.0
[M+Na-2H]-	302.24652	168.4
[M]+	281.27130	165.9
[M]-	281.27240	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe