CID 56263

1-(4-butoxyphenyl)ethanamine

Structural Information

Molecular Formula
C12H19NO
SMILES
CCCCOC1=CC=C(C=C1)C(C)N
InChI
InChI=1S/C12H19NO/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8,10H,3-4,9,13H2,1-2H3
InChIKey
ANOJLHQGMTVKNE-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

193.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.9
[M+Na]+ 216.135888 151.8
[M-H]- 192.139394 148.7
[M+NH4]+ 211.180493 165.1
[M+K]+ 232.109828 149.8
[M+H-H2O]+ 176.143930 139.5
[M+HCOO]- 238.144871 169.1
[M+CH3COO]- 252.160521 188.6
[M+Na-2H]- 214.121336 149.7
[M]+ 193.14612142 146.3
[M]- 193.14721858 146.3
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

patents stripe