CID 44721

1-naphthalenemethanol, 1,2,3,4-tetrahydro-1-(dimethylamino)-5-methoxy-, hydrochloride

Structural Information

Molecular Formula
C14H21NO2
SMILES
CN(C)C(C1CCCC2=C1C=CC=C2OC)O
InChI
InChI=1S/C14H21NO2/c1-15(2)14(16)12-8-4-7-11-10(12)6-5-9-13(11)17-3/h5-6,9,12,14,16H,4,7-8H2,1-3H3
InChIKey
RBJSINFKPKTNED-UHFFFAOYSA-N
Compound name
dimethylamino-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 154.2
[M+Na]+ 258.14645 159.1
[M-H]- 234.14995 158.1
[M+NH4]+ 253.19105 172.8
[M+K]+ 274.12039 157.8
[M+H-H2O]+ 218.15449 147.7
[M+HCOO]- 280.15543 173.5
[M+CH3COO]- 294.17108 197.5
[M+Na-2H]- 256.13190 157.5
[M]+ 235.15668 153.5
[M]- 235.15778 153.5
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.