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

19
Patents

231.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 154.7
[M+Na]+ 254.15153 166.1
[M+NH4]+ 249.19613 164.0
[M+K]+ 270.12547 158.8
[M-H]- 230.15503 158.4
[M+Na-2H]- 252.13698 160.5
[M]+ 231.16176 157.3
[M]- 231.16286 157.3
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