CID 3063466

Butylamine, n-(3-(o-methoxyphenyl)propyl)-, hydrochloride

Structural Information

Molecular Formula
C14H23NO
SMILES
CCCCNCCCC1=CC=CC=C1OC
InChI
InChI=1S/C14H23NO/c1-3-4-11-15-12-7-9-13-8-5-6-10-14(13)16-2/h5-6,8,10,15H,3-4,7,9,11-12H2,1-2H3
InChIKey
PQGMECIEHYVMEX-UHFFFAOYSA-N
Compound name
N-[3-(2-methoxyphenyl)propyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.17796 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.185236 153.9
[M+Na]+ 244.167178 159.2
[M-H]- 220.170684 156.7
[M+NH4]+ 239.211783 172.2
[M+K]+ 260.141118 156.5
[M+H-H2O]+ 204.175220 146.9
[M+HCOO]- 266.176161 178.0
[M+CH3COO]- 280.191811 194.5
[M+Na-2H]- 242.152626 158.9
[M]+ 221.17741142 156.7
[M]- 221.17850858 156.7
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.