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]+ 270.125536 160.2
[M+Na]+ 292.107478 166.9
[M-H]- 268.110984 164.3
[M+NH4]+ 287.152083 178.6
[M+K]+ 308.081418 163.7
[M+H-H2O]+ 252.115520 154.8
[M+HCOO]- 314.116461 175.0
[M+CH3COO]- 328.132111 202.4
[M+Na-2H]- 290.092926 162.4
[M]+ 269.11771142 162.1
[M]- 269.11880858 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.