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

0
Patents

303.21982 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.227096 176.9
[M+Na]+ 326.209038 180.3
[M-H]- 302.212544 183.8
[M+NH4]+ 321.253643 195.7
[M+K]+ 342.182978 178.3
[M+H-H2O]+ 286.217080 169.5
[M+HCOO]- 348.218021 198.6
[M+CH3COO]- 362.233671 209.9
[M+Na-2H]- 324.194486 176.7
[M]+ 303.21927142 178.3
[M]- 303.22036858 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