CID 3079161

4-methyl-2-(pentyloxy)-2-phenylmorpholine hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCCCOC1(CN(CCO1)C)C2=CC=CC=C2
InChI
InChI=1S/C16H25NO2/c1-3-4-8-12-18-16(14-17(2)11-13-19-16)15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3
InChIKey
OVINSBPGEBFJDF-UHFFFAOYSA-N
Compound name
4-methyl-2-pentoxy-2-phenylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

263.18854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 164.2
[M+Na]+ 286.17776 168.7
[M-H]- 262.18126 168.9
[M+NH4]+ 281.22236 179.8
[M+K]+ 302.15170 167.3
[M+H-H2O]+ 246.18580 155.7
[M+HCOO]- 308.18674 181.8
[M+CH3COO]- 322.20239 196.3
[M+Na-2H]- 284.16321 169.3
[M]+ 263.18799 164.3
[M]- 263.18909 164.3
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

patents stripe