CID 44719

63766-12-1

Structural Information

Molecular Formula
C14H20ClNO2
SMILES
CN(C)C(C1CCCC2=C1C=CC(=C2OC)Cl)O
InChI
InChI=1S/C14H20ClNO2/c1-16(2)14(17)11-6-4-5-10-9(11)7-8-12(15)13(10)18-3/h7-8,11,14,17H,4-6H2,1-3H3
InChIKey
OCOFFRPQUNMLPI-UHFFFAOYSA-N
Compound name
(6-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-(dimethylamino)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11826 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12554 160.2
[M+Na]+ 292.10748 166.9
[M-H]- 268.11098 164.3
[M+NH4]+ 287.15208 178.6
[M+K]+ 308.08142 163.7
[M+H-H2O]+ 252.11552 154.8
[M+HCOO]- 314.11646 175.0
[M+CH3COO]- 328.13211 202.4
[M+Na-2H]- 290.09293 162.4
[M]+ 269.11771 162.1
[M]- 269.11881 162.1
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.