CID 16205

N,n-dibutylglycine 2,6-xylyl ester hydrochloride

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 173.7
[M+Na]+ 314.20904 184.3
[M+NH4]+ 309.25364 180.7
[M+K]+ 330.18298 177.2
[M-H]- 290.21254 176.0
[M+Na-2H]- 312.19449 178.3
[M]+ 291.21927 175.8
[M]- 291.22037 175.8
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

No patent data available for this compound.