CID 56480

92726-07-3

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCN(CC)CCOC(=O)C1=C(C=CC(=C1)C)C
InChI
InChI=1S/C15H23NO2/c1-5-16(6-2)9-10-18-15(17)14-11-12(3)7-8-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKey
JLZJKXBWLNTZOY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,5-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 160.4
[M+Na]+ 272.16210 166.5
[M-H]- 248.16560 165.2
[M+NH4]+ 267.20670 178.5
[M+K]+ 288.13604 165.4
[M+H-H2O]+ 232.17014 153.4
[M+HCOO]- 294.17108 184.2
[M+CH3COO]- 308.18673 203.4
[M+Na-2H]- 270.14755 162.3
[M]+ 249.17233 165.3
[M]- 249.17343 165.3
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.