CID 121113

1455-96-5

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCN(CC)CCOC(=O)C(C)(C)OCCC1=CC=CC=C1
InChI
InChI=1S/C18H29NO3/c1-5-19(6-2)13-15-21-17(20)18(3,4)22-14-12-16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3
InChIKey
OOHFJOLPWRLVFS-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-methyl-2-(2-phenylethoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 178.2
[M+Na]+ 330.20397 181.4
[M-H]- 306.20747 181.8
[M+NH4]+ 325.24857 193.2
[M+K]+ 346.17791 180.6
[M+H-H2O]+ 290.21201 170.4
[M+HCOO]- 352.21295 199.6
[M+CH3COO]- 366.22860 212.4
[M+Na-2H]- 328.18942 180.6
[M]+ 307.21420 184.3
[M]- 307.21530 184.3
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

No patent data available for this compound.