CID 60926790

5-methoxy-1-phenylpentan-1-amine

Structural Information

Molecular Formula
C12H19NO
SMILES
COCCCCC(C1=CC=CC=C1)N
InChI
InChI=1S/C12H19NO/c1-14-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10,13H2,1H3
InChIKey
CNIPSAFWDYGSJU-UHFFFAOYSA-N
Compound name
5-methoxy-1-phenylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 146.2
[M+Na]+ 216.135888 151.2
[M-H]- 192.139394 148.6
[M+NH4]+ 211.180493 165.0
[M+K]+ 232.109828 149.1
[M+H-H2O]+ 176.143930 139.6
[M+HCOO]- 238.144871 169.4
[M+CH3COO]- 252.160521 187.4
[M+Na-2H]- 214.121336 150.7
[M]+ 193.14612142 146.2
[M]- 193.14721858 146.2
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.