CID 3079948

126806-95-9

Structural Information

Molecular Formula
C18H29NO2
SMILES
CCCCN1CCOC(C1)(C2=CC=CC=C2)OCCCC
InChI
InChI=1S/C18H29NO2/c1-3-5-12-19-13-15-21-18(16-19,20-14-6-4-2)17-10-8-7-9-11-17/h7-11H,3-6,12-16H2,1-2H3
InChIKey
YSTZHJFFZPJXHH-UHFFFAOYSA-N
Compound name
2-butoxy-4-butyl-2-phenylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.21982 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 173.2
[M+Na]+ 314.20904 176.8
[M-H]- 290.21254 177.4
[M+NH4]+ 309.25364 187.6
[M+K]+ 330.18298 174.9
[M+H-H2O]+ 274.21708 164.3
[M+HCOO]- 336.21802 190.1
[M+CH3COO]- 350.23367 202.3
[M+Na-2H]- 312.19449 177.2
[M]+ 291.21927 173.9
[M]- 291.22037 173.9
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.