CID 38482

Brn 1992664

Structural Information

Molecular Formula
C17H25NO2
SMILES
CN(C)CCOC(=O)CC1CCCCC2=CC=CC=C12
InChI
InChI=1S/C17H25NO2/c1-18(2)11-12-20-17(19)13-15-9-4-3-7-14-8-5-6-10-16(14)15/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3
InChIKey
KKVLTTUITAEBQM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 162.6
[M+Na]+ 298.17776 164.7
[M-H]- 274.18126 168.2
[M+NH4]+ 293.22236 178.9
[M+K]+ 314.15170 167.5
[M+H-H2O]+ 258.18580 156.6
[M+HCOO]- 320.18674 182.0
[M+CH3COO]- 334.20239 206.6
[M+Na-2H]- 296.16321 165.4
[M]+ 275.18799 160.5
[M]- 275.18909 160.5
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.