CID 121183

Brn 0986837

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC1=C(C(=C(C=C1)C(C)C)O)CN2CCOCC2
InChI
InChI=1S/C15H23NO2/c1-11(2)13-5-4-12(3)14(15(13)17)10-16-6-8-18-9-7-16/h4-5,11,17H,6-10H2,1-3H3
InChIKey
DPRXSDSQZAMXLI-UHFFFAOYSA-N
Compound name
3-methyl-2-(morpholin-4-ylmethyl)-6-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 160.8
[M+Na]+ 272.162098 166.1
[M-H]- 248.165604 164.9
[M+NH4]+ 267.206703 174.8
[M+K]+ 288.136038 164.1
[M+H-H2O]+ 232.170140 153.0
[M+HCOO]- 294.171081 176.2
[M+CH3COO]- 308.186731 194.5
[M+Na-2H]- 270.147546 162.3
[M]+ 249.17233142 158.6
[M]- 249.17342858 158.6
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.