CID 59293

Carvacrol, 3-(2-(dimethylamino)ethoxy)-, hydrochloride

Structural Information

Molecular Formula
C14H23NO2
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCCN(C)C)O
InChI
InChI=1S/C14H23NO2/c1-10(2)12-7-6-11(3)13(16)14(12)17-9-8-15(4)5/h6-7,10,16H,8-9H2,1-5H3
InChIKey
UZOMBHOFSZKLPJ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.18016 156.8
[M+Na]+ 260.16210 163.5
[M-H]- 236.16560 160.7
[M+NH4]+ 255.20670 175.0
[M+K]+ 276.13604 162.5
[M+H-H2O]+ 220.17014 150.5
[M+HCOO]- 282.17108 179.2
[M+CH3COO]- 296.18673 200.6
[M+Na-2H]- 258.14755 158.1
[M]+ 237.17233 160.6
[M]- 237.17343 160.6
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

patents stripe