CID 3066067

2-(1,1'-biphenyl)-4-yl-2-methylmorpholine hydrochloride

Structural Information

Molecular Formula
C17H19NO
SMILES
CC1(CNCCO1)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19NO/c1-17(13-18-11-12-19-17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3
InChIKey
PVDANCBLFQIQGE-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-phenylphenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 160.3
[M+Na]+ 276.135888 165.5
[M-H]- 252.139394 167.1
[M+NH4]+ 271.180493 175.1
[M+K]+ 292.109828 161.6
[M+H-H2O]+ 236.143930 151.1
[M+HCOO]- 298.144871 177.2
[M+CH3COO]- 312.160521 170.9
[M+Na-2H]- 274.121336 166.6
[M]+ 253.14612142 154.8
[M]- 253.14721858 154.8
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.