CID 15874

1877-26-5

Structural Information

Molecular Formula
C18H29NO2
SMILES
CCN(CC)CC(=O)OC1=C(C=CC=C1C(C)C)C(C)C
InChI
InChI=1S/C18H29NO2/c1-7-19(8-2)12-17(20)21-18-15(13(3)4)10-9-11-16(18)14(5)6/h9-11,13-14H,7-8,12H2,1-6H3
InChIKey
WWAHBRITKDVAEE-UHFFFAOYSA-N
Compound name
[2,6-di(propan-2-yl)phenyl] 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 174.2
[M+Na]+ 314.20904 178.5
[M-H]- 290.21254 178.6
[M+NH4]+ 309.25364 190.4
[M+K]+ 330.18298 177.8
[M+H-H2O]+ 274.21708 166.9
[M+HCOO]- 336.21802 194.9
[M+CH3COO]- 350.23367 214.2
[M+Na-2H]- 312.19449 172.1
[M]+ 291.21927 178.9
[M]- 291.22037 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.