CID 3076673

2-naphthalenemethanol, 5,6,7,8-tetrahydro-alpha-((2-(dimethylamino)ethoxy)methyl-, hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CN(C)CCOCC(C1=CC2=C(CCCC2)C=C1)O
InChI
InChI=1S/C16H25NO2/c1-17(2)9-10-19-12-16(18)15-8-7-13-5-3-4-6-14(13)11-15/h7-8,11,16,18H,3-6,9-10,12H2,1-2H3
InChIKey
BVUWTENXBICXCH-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 163.8
[M+Na]+ 286.17776 166.8
[M-H]- 262.18126 166.8
[M+NH4]+ 281.22236 180.8
[M+K]+ 302.15170 164.9
[M+H-H2O]+ 246.18580 156.5
[M+HCOO]- 308.18674 182.4
[M+CH3COO]- 322.20239 202.3
[M+Na-2H]- 284.16321 166.7
[M]+ 263.18799 163.3
[M]- 263.18909 163.3
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.