CID 29561882

N-isobutylisononylamine

Structural Information

Molecular Formula

C₁₃H₂₉N

SMILES

CC(C)CCCCCCNCC(C)C

InChI

InChI=1S/C13H29N/c1-12(2)9-7-5-6-8-10-14-11-13(3)4/h12-14H,5-11H2,1-4H3

InChIKey

BINARWUWDSEQSK-UHFFFAOYSA-N

Compound name

7-methyl-N-(2-methylpropyl)octan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 199.23 Da
Monoisotopic Mass: 4.8
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]+	200.237276	156.5
[M+Na]+	222.219218	159.5
[M-H]-	198.222724	155.7
[M+NH4]+	217.263823	175.7
[M+K]+	238.193158	158.4
[M+H-H2O]+	182.227260	150.6
[M+HCOO]-	244.228201	177.0
[M+CH3COO]-	258.243851	194.9
[M+Na-2H]-	220.204666	157.4
[M]+	199.22945142	158.3
[M]-	199.23054858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe