CID 3062818

99098-81-4

Structural Information

Molecular Formula
C18H29NO2
SMILES
CCN(CC)CCOC(=O)C(CC(C)C)C1=CC=CC=C1
InChI
InChI=1S/C18H29NO2/c1-5-19(6-2)12-13-21-18(20)17(14-15(3)4)16-10-8-7-9-11-16/h7-11,15,17H,5-6,12-14H2,1-4H3
InChIKey
XKCMHQMZBQYCQV-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-methyl-2-phenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.21982 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.227096 176.4
[M+Na]+ 314.209038 178.7
[M-H]- 290.212544 179.9
[M+NH4]+ 309.253643 191.9
[M+K]+ 330.182978 177.9
[M+H-H2O]+ 274.217080 168.4
[M+HCOO]- 336.218021 197.1
[M+CH3COO]- 350.233671 211.8
[M+Na-2H]- 312.194486 175.4
[M]+ 291.21927142 180.2
[M]- 291.22036858 180.2
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.