CID 3063468

N-butyl-o-methoxy-alpha-methyl-phenethylamine hydrochloride

Structural Information

Molecular Formula
C14H23NO
SMILES
CCCCNC(C)CC1=CC=CC=C1OC
InChI
InChI=1S/C14H23NO/c1-4-5-10-15-12(2)11-13-8-6-7-9-14(13)16-3/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKey
WHNDMDFVNAQKSW-UHFFFAOYSA-N
Compound name
N-[1-(2-methoxyphenyl)propan-2-yl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.17796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.185236 154.6
[M+Na]+ 244.167178 159.7
[M-H]- 220.170684 157.6
[M+NH4]+ 239.211783 172.9
[M+K]+ 260.141118 157.5
[M+H-H2O]+ 204.175220 147.8
[M+HCOO]- 266.176161 177.8
[M+CH3COO]- 280.191811 195.3
[M+Na-2H]- 242.152626 158.4
[M]+ 221.17741142 156.8
[M]- 221.17850858 156.8
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.