CID 3071497

137376-70-6

Structural Information

Molecular Formula
C15H21NO
SMILES
CN(C)CC1CCCCC2=CC=CC=C2C1=O
InChI
InChI=1S/C15H21NO/c1-16(2)11-13-9-4-3-7-12-8-5-6-10-14(12)15(13)17/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3
InChIKey
NMVFVLDERJXYLG-UHFFFAOYSA-N
Compound name
6-[(dimethylamino)methyl]-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 158.2
[M+Na]+ 254.151528 162.5
[M-H]- 230.155034 160.8
[M+NH4]+ 249.196133 167.0
[M+K]+ 270.125468 162.4
[M+H-H2O]+ 214.159570 154.1
[M+HCOO]- 276.160511 167.5
[M+CH3COO]- 290.176161 229.0
[M+Na-2H]- 252.136976 157.9
[M]+ 231.16176142 157.5
[M]- 231.16285858 157.5
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.