CID 58555

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

Structural Information

Molecular Formula
C17H21NO
SMILES
COC1=CC=CC=C1CCCNCC2=CC=CC=C2
InChI
InChI=1S/C17H21NO/c1-19-17-12-6-5-10-16(17)11-7-13-18-14-15-8-3-2-4-9-15/h2-6,8-10,12,18H,7,11,13-14H2,1H3
InChIKey
VIDHGGODMWTBLM-UHFFFAOYSA-N
Compound name
N-benzyl-3-(2-methoxyphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

255.16231 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 160.5
[M+Na]+ 278.15153 165.8
[M-H]- 254.15503 166.5
[M+NH4]+ 273.19613 176.9
[M+K]+ 294.12547 161.6
[M+H-H2O]+ 238.15957 152.2
[M+HCOO]- 300.16051 185.1
[M+CH3COO]- 314.17616 199.1
[M+Na-2H]- 276.13698 166.6
[M]+ 255.16176 161.6
[M]- 255.16286 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe