CID 214122

27722-05-0

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC(C1CCCCC1)(C2=CC=CC=C2)C(=O)OCCN(C)C
InChI
InChI=1S/C19H29NO2/c1-19(16-10-6-4-7-11-16,17-12-8-5-9-13-17)18(21)22-15-14-20(2)3/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3
InChIKey
ZIHCFXCGVHDJNB-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-cyclohexyl-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 175.7
[M+Na]+ 326.20904 176.6
[M-H]- 302.21254 181.6
[M+NH4]+ 321.25364 190.2
[M+K]+ 342.18298 175.0
[M+H-H2O]+ 286.21708 167.3
[M+HCOO]- 348.21802 193.6
[M+CH3COO]- 362.23367 210.1
[M+Na-2H]- 324.19449 177.3
[M]+ 303.21927 173.7
[M]- 303.22037 173.7
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.