CID 51678

Demethyldeacetylmoxisylyte

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCNC
InChI
InChI=1S/C13H21NO2/c1-9(2)11-8-12(15)10(3)7-13(11)16-6-5-14-4/h7-9,14-15H,5-6H2,1-4H3
InChIKey
GOHVWKGLNUZCRK-UHFFFAOYSA-N
Compound name
2-methyl-4-[2-(methylamino)ethoxy]-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

223.15723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 152.7
[M+Na]+ 246.14645 159.6
[M-H]- 222.14995 155.3
[M+NH4]+ 241.19105 170.8
[M+K]+ 262.12039 157.4
[M+H-H2O]+ 206.15449 146.7
[M+HCOO]- 268.15543 174.9
[M+CH3COO]- 282.17108 194.1
[M+Na-2H]- 244.13190 155.2
[M]+ 223.15668 154.8
[M]- 223.15778 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe