CID 100893

58943-75-2

Structural Information

Molecular Formula

C₁₈H₃₉NO

SMILES

CCCCCCCCCCCCCCCOCCCN

InChI

InChI=1S/C18H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19/h2-19H2,1H3

InChIKey

FELNCSXBNJPZGU-UHFFFAOYSA-N

Compound name

3-pentadecoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 285.30316 Da
Monoisotopic Mass: 6.7
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]+	286.31044	180.2
[M+Na]+	308.29238	181.5
[M-H]-	284.29588	177.6
[M+NH4]+	303.33698	195.7
[M+K]+	324.26632	178.2
[M+H-H2O]+	268.30042	172.9
[M+HCOO]-	330.30136	200.6
[M+CH3COO]-	344.31701	209.5
[M+Na-2H]-	306.27783	180.0
[M]+	285.30261	185.7
[M]-	285.30371	185.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe