CID 52922

74051-74-4

Structural Information

Molecular Formula
C21H35NO2
SMILES
CCCCCCCC(C1=CC=CC=C1)C(=O)OCCN(CC)CC
InChI
InChI=1S/C21H35NO2/c1-4-7-8-9-13-16-20(19-14-11-10-12-15-19)21(23)24-18-17-22(5-2)6-3/h10-12,14-15,20H,4-9,13,16-18H2,1-3H3
InChIKey
HDGSDXXUCWXCFE-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-phenylnonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.26678 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.27406 190.2
[M+Na]+ 356.25600 191.4
[M-H]- 332.25950 192.9
[M+NH4]+ 351.30060 204.0
[M+K]+ 372.22994 189.3
[M+H-H2O]+ 316.26404 181.4
[M+HCOO]- 378.26498 210.8
[M+CH3COO]- 392.28063 219.8
[M+Na-2H]- 354.24145 188.8
[M]+ 333.26623 195.7
[M]- 333.26733 195.7
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.