CID 75580

Diheptylamine

Structural Information

Molecular Formula

C₁₄H₃₁N

SMILES

CCCCCCCNCCCCCCC

InChI

InChI=1S/C14H31N/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h15H,3-14H2,1-2H3

InChIKey

NJWMENBYMFZACG-UHFFFAOYSA-N

Compound name

N-heptylheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 16809
Patents: 213.24565 Da
Monoisotopic Mass: 5.5
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]+	214.25293	159.2
[M+Na]+	236.23487	162.2
[M-H]-	212.23837	157.9
[M+NH4]+	231.27947	177.9
[M+K]+	252.20881	159.9
[M+H-H2O]+	196.24291	153.0
[M+HCOO]-	258.24385	181.4
[M+CH3COO]-	272.25950	196.4
[M+Na-2H]-	234.22032	162.2
[M]+	213.24510	162.8
[M]-	213.24620	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe