CID 3052841

Brn 3414309

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCN(CC)CCOC(=O)C1(CCCC1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C19H29NO3/c1-4-20(5-2)13-14-23-18(21)19(11-6-7-12-19)16-9-8-10-17(15-16)22-3/h8-10,15H,4-7,11-14H2,1-3H3
InChIKey
VNWWXRWDWOUZHU-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-(3-methoxyphenyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.222026 179.8
[M+Na]+ 342.203968 183.1
[M-H]- 318.207474 186.6
[M+NH4]+ 337.248573 197.8
[M+K]+ 358.177908 181.7
[M+H-H2O]+ 302.212010 172.3
[M+HCOO]- 364.212951 201.7
[M+CH3COO]- 378.228601 211.9
[M+Na-2H]- 340.189416 179.8
[M]+ 319.21420142 182.6
[M]- 319.21529858 182.6
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.