CID 71756834

4-ethyl-3-methoxyhexan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H21NO
SMILES
CCC(CC)C(CCN)OC
InChI
InChI=1S/C9H21NO/c1-4-8(5-2)9(11-3)6-7-10/h8-9H,4-7,10H2,1-3H3
InChIKey
YTPZXTSSQYKMLB-UHFFFAOYSA-N
Compound name
4-ethyl-3-methoxyhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.16231 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.169586 141.6
[M+Na]+ 182.151528 146.3
[M-H]- 158.155034 140.9
[M+NH4]+ 177.196133 162.1
[M+K]+ 198.125468 146.3
[M+H-H2O]+ 142.159570 136.3
[M+HCOO]- 204.160511 163.1
[M+CH3COO]- 218.176161 184.1
[M+Na-2H]- 180.136976 143.6
[M]+ 159.16176142 142.3
[M]- 159.16285858 142.3
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

No patent data available for this compound.