CID 16581

2173-47-9

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCN(CC)C(C)C(=O)OC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C16H25NO2/c1-7-17(8-2)14(6)16(18)19-15-12(4)9-11(3)10-13(15)5/h9-10,14H,7-8H2,1-6H3
InChIKey
VRPHGURYMVUTIJ-UHFFFAOYSA-N
Compound name
(2,4,6-trimethylphenyl) 2-(diethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 163.9
[M+Na]+ 286.177758 170.3
[M-H]- 262.181264 169.0
[M+NH4]+ 281.222363 181.7
[M+K]+ 302.151698 169.6
[M+H-H2O]+ 246.185800 157.2
[M+HCOO]- 308.186741 186.4
[M+CH3COO]- 322.202391 208.5
[M+Na-2H]- 284.163206 163.4
[M]+ 263.18799142 168.9
[M]- 263.18908858 168.9
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.