CID 60287

Brn 2618665

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCN(CC)CCOC(=O)C1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C16H25NO2/c1-6-17(7-2)8-9-19-16(18)15-13(4)10-12(3)11-14(15)5/h10-11H,6-9H2,1-5H3
InChIKey
VZVHWWWJZRQAOW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,4,6-trimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

263.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 164.2
[M+Na]+ 286.177758 170.8
[M-H]- 262.181264 169.2
[M+NH4]+ 281.222363 182.0
[M+K]+ 302.151698 169.6
[M+H-H2O]+ 246.185800 157.3
[M+HCOO]- 308.186741 187.6
[M+CH3COO]- 322.202391 207.6
[M+Na-2H]- 284.163206 164.9
[M]+ 263.18799142 169.8
[M]- 263.18908858 169.8
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

patents stripe