CID 45864

Orange bn

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CN(C)C1CCCC2=C1C=CC(=C2O)Cl
InChI
InChI=1S/C12H16ClNO/c1-14(2)11-5-3-4-9-8(11)6-7-10(13)12(9)15/h6-7,11,15H,3-5H2,1-2H3
InChIKey
OUJHFZQXXOBGAT-UHFFFAOYSA-N
Compound name
2-chloro-5-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

225.09204 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 148.1
[M+Na]+ 248.08126 156.1
[M-H]- 224.08476 152.5
[M+NH4]+ 243.12586 168.5
[M+K]+ 264.05520 152.2
[M+H-H2O]+ 208.08930 143.2
[M+HCOO]- 270.09024 164.4
[M+CH3COO]- 284.10589 193.4
[M+Na-2H]- 246.06671 152.5
[M]+ 225.09149 148.4
[M]- 225.09259 148.4
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.