CID 60200

1-(4-hexoxyphenyl)ethanamine

Structural Information

Molecular Formula
C14H23NO
SMILES
CCCCCCOC1=CC=C(C=C1)C(C)N
InChI
InChI=1S/C14H23NO/c1-3-4-5-6-11-16-14-9-7-13(8-10-14)12(2)15/h7-10,12H,3-6,11,15H2,1-2H3
InChIKey
RLRTXNKPHNALGI-UHFFFAOYSA-N
Compound name
1-(4-hexoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.17796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 155.2
[M+Na]+ 244.16718 160.2
[M-H]- 220.17068 157.6
[M+NH4]+ 239.21178 173.2
[M+K]+ 260.14112 157.7
[M+H-H2O]+ 204.17522 148.4
[M+HCOO]- 266.17616 177.7
[M+CH3COO]- 280.19181 194.6
[M+Na-2H]- 242.15263 157.9
[M]+ 221.17741 156.3
[M]- 221.17851 156.3
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.