CID 14806244

111106-31-1

Structural Information

Molecular Formula
C9H21NO
SMILES
CCCCCNCCCOC
InChI
InChI=1S/C9H21NO/c1-3-4-5-7-10-8-6-9-11-2/h10H,3-9H2,1-2H3
InChIKey
ZAAUEOJGRAIXHU-UHFFFAOYSA-N
Compound name
N-(3-methoxypropyl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

159.16231 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.169586 139.6
[M+Na]+ 182.151528 144.7
[M-H]- 158.155034 139.2
[M+NH4]+ 177.196133 160.4
[M+K]+ 198.125468 144.1
[M+H-H2O]+ 142.159570 134.1
[M+HCOO]- 204.160511 163.7
[M+CH3COO]- 218.176161 183.1
[M+Na-2H]- 180.136976 145.3
[M]+ 159.16176142 142.7
[M]- 159.16285858 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe