CID 3052845

Brn 3384551

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=C(C=C2)C
InChI
InChI=1S/C19H29NO2/c1-4-20(5-2)14-15-22-18(21)19(12-6-7-13-19)17-10-8-16(3)9-11-17/h8-11H,4-7,12-15H2,1-3H3
InChIKey
YVJQIYBGYUXISU-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

303.21982 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.9
[M+Na]+ 326.20904 180.3
[M-H]- 302.21254 183.8
[M+NH4]+ 321.25364 195.7
[M+K]+ 342.18298 178.3
[M+H-H2O]+ 286.21708 169.5
[M+HCOO]- 348.21802 198.6
[M+CH3COO]- 362.23367 209.9
[M+Na-2H]- 324.19449 176.7
[M]+ 303.21927 178.3
[M]- 303.22037 178.3
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

patents stripe