CID 3076636

131963-52-5

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC1=CC2=C(C=C1)C=C(C=C2)C(COCCN(C)C)O
InChI
InChI=1S/C17H23NO2/c1-13-4-5-15-11-16(7-6-14(15)10-13)17(19)12-20-9-8-18(2)3/h4-7,10-11,17,19H,8-9,12H2,1-3H3
InChIKey
RHZDBRUJAHXJKZ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-(6-methylnaphthalen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 165.9
[M+Na]+ 296.162098 171.5
[M-H]- 272.165604 169.9
[M+NH4]+ 291.206703 183.0
[M+K]+ 312.136038 169.0
[M+H-H2O]+ 256.170140 158.6
[M+HCOO]- 318.171081 187.0
[M+CH3COO]- 332.186731 205.8
[M+Na-2H]- 294.147546 169.5
[M]+ 273.17233142 169.0
[M]- 273.17342858 169.0
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.