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]+ 292.227096 174.5
[M+Na]+ 314.209038 179.3
[M-H]- 290.212544 178.7
[M+NH4]+ 309.253643 190.8
[M+K]+ 330.182978 177.5
[M+H-H2O]+ 274.217080 166.9
[M+HCOO]- 336.218021 197.2
[M+CH3COO]- 350.233671 212.4
[M+Na-2H]- 312.194486 174.7
[M]+ 291.21927142 180.5
[M]- 291.22036858 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.