CID 3061090

4-(4-chlorophenyl)-n,n-dimethyl-1-oxaspiro(4.4)nonane-3-methanamine hydrochloride

Structural Information

Molecular Formula
C17H24ClNO
SMILES
CN(C)CC1COC2(C1C3=CC=C(C=C3)Cl)CCCC2
InChI
InChI=1S/C17H24ClNO/c1-19(2)11-14-12-20-17(9-3-4-10-17)16(14)13-5-7-15(18)8-6-13/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKey
PYRCLXMIPGYWHM-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)-1-oxaspiro[4.4]nonan-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.15463 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16191 173.2
[M+Na]+ 316.14385 179.2
[M-H]- 292.14735 183.2
[M+NH4]+ 311.18845 194.2
[M+K]+ 332.11779 175.7
[M+H-H2O]+ 276.15189 167.1
[M+HCOO]- 338.15283 189.8
[M+CH3COO]- 352.16848 184.9
[M+Na-2H]- 314.12930 172.7
[M]+ 293.15408 173.0
[M]- 293.15518 173.0
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

patents stripe