CID 206108

4-morpholinepropanamine, n-(phenylmethyl)-, hydrochloride, hydrate (1:2:1)

Structural Information

Molecular Formula
C14H22N2O
SMILES
C1COCCN1CCCNCC2=CC=CC=C2
InChI
InChI=1S/C14H22N2O/c1-2-5-14(6-3-1)13-15-7-4-8-16-9-11-17-12-10-16/h1-3,5-6,15H,4,7-13H2
InChIKey
KMFYUJZFLWMNJB-UHFFFAOYSA-N
Compound name
N-benzyl-3-morpholin-4-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
Patents

234.17322 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 155.8
[M+Na]+ 257.16244 158.5
[M-H]- 233.16594 159.9
[M+NH4]+ 252.20704 169.9
[M+K]+ 273.13638 156.4
[M+H-H2O]+ 217.17048 146.8
[M+HCOO]- 279.17142 174.9
[M+CH3COO]- 293.18707 192.5
[M+Na-2H]- 255.14789 162.1
[M]+ 234.17267 152.4
[M]- 234.17377 152.4
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