CID 45876

63978-97-2

Structural Information

Molecular Formula
C15H20ClNO
SMILES
CN(C)C1CCCC2=C(C=CC(=C12)Cl)OCC=C
InChI
InChI=1S/C15H20ClNO/c1-4-10-18-14-9-8-12(16)15-11(14)6-5-7-13(15)17(2)3/h4,8-9,13H,1,5-7,10H2,2-3H3
InChIKey
LNORLYYKYFJOAF-UHFFFAOYSA-N
Compound name
8-chloro-N,N-dimethyl-5-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12335 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13063 160.9
[M+Na]+ 288.11257 168.2
[M-H]- 264.11607 166.0
[M+NH4]+ 283.15717 180.2
[M+K]+ 304.08651 163.8
[M+H-H2O]+ 248.12061 154.9
[M+HCOO]- 310.12155 177.7
[M+CH3COO]- 324.13720 204.1
[M+Na-2H]- 286.09802 164.0
[M]+ 265.12280 163.3
[M]- 265.12390 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.