CID 20069586

6835-13-8

Structural Information

Molecular Formula

C₁₃H₂₉N

SMILES

CCCCCCCCNCCCCC

InChI

InChI=1S/C13H29N/c1-3-5-7-8-9-11-13-14-12-10-6-4-2/h14H,3-13H2,1-2H3

InChIKey

MKZYBVBFFWCQGK-UHFFFAOYSA-N

Compound name

N-pentyloctan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 199.23 Da
Monoisotopic Mass: 5.0
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]+	200.23728	154.7
[M+Na]+	222.21922	158.2
[M-H]-	198.22272	153.6
[M+NH4]+	217.26382	174.0
[M+K]+	238.19316	156.1
[M+H-H2O]+	182.22726	148.7
[M+HCOO]-	244.22820	177.2
[M+CH3COO]-	258.24385	193.4
[M+Na-2H]-	220.20467	158.3
[M]+	199.22945	157.9
[M]-	199.23055	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe