CID 3041844

58704-26-0

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC1COCCN1CC2=C(C=C(C(=C2)C)C)O
InChI
InChI=1S/C14H21NO2/c1-10-6-13(14(16)7-11(10)2)8-15-4-5-17-9-12(15)3/h6-7,12,16H,4-5,8-9H2,1-3H3
InChIKey
HNOSYZMYQPLVFT-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 156.1
[M+Na]+ 258.146448 163.1
[M-H]- 234.149954 160.7
[M+NH4]+ 253.191053 171.1
[M+K]+ 274.120388 160.8
[M+H-H2O]+ 218.154490 148.6
[M+HCOO]- 280.155431 172.8
[M+CH3COO]- 294.171081 191.9
[M+Na-2H]- 256.131896 158.6
[M]+ 235.15668142 154.6
[M]- 235.15777858 154.6
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.