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]+ 232.16959 158.2
[M+Na]+ 254.15153 162.5
[M-H]- 230.15503 160.8
[M+NH4]+ 249.19613 167.0
[M+K]+ 270.12547 162.4
[M+H-H2O]+ 214.15957 154.1
[M+HCOO]- 276.16051 167.5
[M+CH3COO]- 290.17616 229.0
[M+Na-2H]- 252.13698 157.9
[M]+ 231.16176 157.5
[M]- 231.16286 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.