CID 16205

2014-24-6

Structural Information

Molecular Formula
C18H29NO2
SMILES
CCCCN(CCCC)CC(=O)OC1=C(C=CC=C1C)C
InChI
InChI=1S/C18H29NO2/c1-5-7-12-19(13-8-6-2)14-17(20)21-18-15(3)10-9-11-16(18)4/h9-11H,5-8,12-14H2,1-4H3
InChIKey
ZXQPWWQAPYMMDS-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) 2-(dibutylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.21982 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 174.5
[M+Na]+ 314.20904 179.3
[M-H]- 290.21254 178.7
[M+NH4]+ 309.25364 190.8
[M+K]+ 330.18298 177.5
[M+H-H2O]+ 274.21708 166.9
[M+HCOO]- 336.21802 197.2
[M+CH3COO]- 350.23367 212.4
[M+Na-2H]- 312.19449 174.7
[M]+ 291.21927 180.5
[M]- 291.22037 180.5
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.