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 154.5
[M+Na]+ 254.15153 158.8
[M-H]- 230.15503 159.2
[M+NH4]+ 249.19613 173.5
[M+K]+ 270.12547 156.7
[M+H-H2O]+ 214.15957 147.4
[M+HCOO]- 276.16051 174.9
[M+CH3COO]- 290.17616 199.0
[M+Na-2H]- 252.13698 158.3
[M]+ 231.16176 153.3
[M]- 231.16286 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