CID 201837

1-propanone, 3-(dimethylamino)-1-(5,6,7,8-tetrahydro-2-naphthalenyl)-, hydrochloride

Structural Information

Molecular Formula
C15H21NO
SMILES
CN(C)CCC(=O)C1=CC2=C(CCCC2)C=C1
InChI
InChI=1S/C15H21NO/c1-16(2)10-9-15(17)14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey
YZDDKXKEYHAKTE-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

231.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 154.5
[M+Na]+ 254.151528 158.8
[M-H]- 230.155034 159.2
[M+NH4]+ 249.196133 173.5
[M+K]+ 270.125468 156.7
[M+H-H2O]+ 214.159570 147.4
[M+HCOO]- 276.160511 174.9
[M+CH3COO]- 290.176161 199.0
[M+Na-2H]- 252.136976 158.3
[M]+ 231.16176142 153.3
[M]- 231.16285858 153.3
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

patents stripe