CID 46447

64037-79-2

Structural Information

Molecular Formula
C15H18ClNO
SMILES
CN(CC#C)C1CCCC2=C(C=CC(=C12)Cl)OC
InChI
InChI=1S/C15H18ClNO/c1-4-10-17(2)13-7-5-6-11-14(18-3)9-8-12(16)15(11)13/h1,8-9,13H,5-7,10H2,2-3H3
InChIKey
XRQBVNUOFVZSPL-UHFFFAOYSA-N
Compound name
8-chloro-5-methoxy-N-methyl-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1077 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11498 159.6
[M+Na]+ 286.09692 170.1
[M-H]- 262.10042 163.2
[M+NH4]+ 281.14152 177.0
[M+K]+ 302.07086 163.0
[M+H-H2O]+ 246.10496 148.3
[M+HCOO]- 308.10590 171.4
[M+CH3COO]- 322.12155 209.1
[M+Na-2H]- 284.08237 162.1
[M]+ 263.10715 156.5
[M]- 263.10825 156.5
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.