CID 45874

Brn 2127868

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(=O)C1=C2C(CCCC2=C(C=C1)OC)N(C)C
InChI
InChI=1S/C15H21NO2/c1-10(17)11-8-9-14(18-4)12-6-5-7-13(15(11)12)16(2)3/h8-9,13H,5-7H2,1-4H3
InChIKey
LZGNSTGYPLIUIX-UHFFFAOYSA-N
Compound name
1-[8-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 156.7
[M+Na]+ 270.146448 162.8
[M-H]- 246.149954 162.2
[M+NH4]+ 265.191053 175.7
[M+K]+ 286.120388 161.5
[M+H-H2O]+ 230.154490 149.9
[M+HCOO]- 292.155431 177.3
[M+CH3COO]- 306.171081 203.5
[M+Na-2H]- 268.131896 159.3
[M]+ 247.15668142 157.8
[M]- 247.15777858 157.8
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.