CID 3045709

Benzeneethanamine, 2-(pentyloxy)-, hydrochloride

Structural Information

Molecular Formula
C13H21NO
SMILES
CCCCCOC1=CC=CC=C1CCN
InChI
InChI=1S/C13H21NO/c1-2-3-6-11-15-13-8-5-4-7-12(13)9-10-14/h4-5,7-8H,2-3,6,9-11,14H2,1H3
InChIKey
KJEDIIKHKDGKTR-UHFFFAOYSA-N
Compound name
2-(2-pentoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.16959 149.8
[M+Na]+ 230.15153 155.5
[M-H]- 206.15503 152.3
[M+NH4]+ 225.19613 168.4
[M+K]+ 246.12547 152.7
[M+H-H2O]+ 190.15957 143.1
[M+HCOO]- 252.16051 173.6
[M+CH3COO]- 266.17616 190.8
[M+Na-2H]- 228.13698 154.3
[M]+ 207.16176 151.2
[M]- 207.16286 151.2
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.