CID 216651

Benzeneethanamine, 4-(heptyloxy)-, hydrochloride

Structural Information

Molecular Formula
C15H25NO
SMILES
CCCCCCCOC1=CC=C(C=C1)CCN
InChI
InChI=1S/C15H25NO/c1-2-3-4-5-6-13-17-15-9-7-14(8-10-15)11-12-16/h7-10H,2-6,11-13,16H2,1H3
InChIKey
HOUHDDXALXDNGF-UHFFFAOYSA-N
Compound name
2-(4-heptoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.19362 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 158.9
[M+Na]+ 258.18284 163.8
[M-H]- 234.18634 161.1
[M+NH4]+ 253.22744 176.4
[M+K]+ 274.15678 160.5
[M+H-H2O]+ 218.19088 151.8
[M+HCOO]- 280.19182 182.1
[M+CH3COO]- 294.20747 196.8
[M+Na-2H]- 256.16829 162.4
[M]+ 235.19307 161.0
[M]- 235.19417 161.0
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.