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]+ 160.16959 141.6
[M+Na]+ 182.15153 146.3
[M-H]- 158.15503 140.9
[M+NH4]+ 177.19613 162.1
[M+K]+ 198.12547 146.3
[M+H-H2O]+ 142.15957 136.3
[M+HCOO]- 204.16051 163.1
[M+CH3COO]- 218.17616 184.1
[M+Na-2H]- 180.13698 143.6
[M]+ 159.16176 142.3
[M]- 159.16286 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.