CID 45895

1-naphthylamine, 1,2,3,4-tetrahydro-8-chloro-n,n-dimethyl-5-isopropoxy-, hydrochloride

Structural Information

Molecular Formula
C15H22ClNO
SMILES
CC(C)OC1=C2CCCC(C2=C(C=C1)Cl)N(C)C
InChI
InChI=1S/C15H22ClNO/c1-10(2)18-14-9-8-12(16)15-11(14)6-5-7-13(15)17(3)4/h8-10,13H,5-7H2,1-4H3
InChIKey
VYMNNKGHMDDAPY-UHFFFAOYSA-N
Compound name
8-chloro-N,N-dimethyl-5-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13898 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14626 161.9
[M+Na]+ 290.12820 168.6
[M-H]- 266.13170 167.1
[M+NH4]+ 285.17280 181.1
[M+K]+ 306.10214 165.4
[M+H-H2O]+ 250.13624 156.1
[M+HCOO]- 312.13718 177.6
[M+CH3COO]- 326.15283 205.9
[M+Na-2H]- 288.11365 163.8
[M]+ 267.13843 164.5
[M]- 267.13953 164.5
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.