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]+ 292.227096 173.2
[M+Na]+ 314.209038 176.8
[M-H]- 290.212544 177.4
[M+NH4]+ 309.253643 187.6
[M+K]+ 330.182978 174.9
[M+H-H2O]+ 274.217080 164.3
[M+HCOO]- 336.218021 190.1
[M+CH3COO]- 350.233671 202.3
[M+Na-2H]- 312.194486 177.2
[M]+ 291.21927142 173.9
[M]- 291.22036858 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.