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]+ 248.16451 156.7
[M+Na]+ 270.14645 162.8
[M-H]- 246.14995 162.2
[M+NH4]+ 265.19105 175.7
[M+K]+ 286.12039 161.5
[M+H-H2O]+ 230.15449 149.9
[M+HCOO]- 292.15543 177.3
[M+CH3COO]- 306.17108 203.5
[M+Na-2H]- 268.13190 159.3
[M]+ 247.15668 157.8
[M]- 247.15778 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.