CID 3041844

Brn 0180501

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]+ 236.16451 156.1
[M+Na]+ 258.14645 163.1
[M-H]- 234.14995 160.7
[M+NH4]+ 253.19105 171.1
[M+K]+ 274.12039 160.8
[M+H-H2O]+ 218.15449 148.6
[M+HCOO]- 280.15543 172.8
[M+CH3COO]- 294.17108 191.9
[M+Na-2H]- 256.13190 158.6
[M]+ 235.15668 154.6
[M]- 235.15778 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.