CID 121425

1237-70-3

Structural Information

Molecular Formula
C19H31NO3
SMILES
CCC(C1=CC=CC=C1)OC(C)(C)C(=O)OCCN(CC)CC
InChI
InChI=1S/C19H31NO3/c1-6-17(16-12-10-9-11-13-16)23-19(4,5)18(21)22-15-14-20(7-2)8-3/h9-13,17H,6-8,14-15H2,1-5H3
InChIKey
IUNIUKSRYHLYKJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-methyl-2-(1-phenylpropoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23768 182.6
[M+Na]+ 344.21962 185.1
[M-H]- 320.22312 186.1
[M+NH4]+ 339.26422 197.0
[M+K]+ 360.19356 184.6
[M+H-H2O]+ 304.22766 174.8
[M+HCOO]- 366.22860 202.6
[M+CH3COO]- 380.24425 216.2
[M+Na-2H]- 342.20507 183.4
[M]+ 321.22985 188.5
[M]- 321.23095 188.5
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.