CID 17539

N,n-dihexylglycine ethyl ester

Structural Information

Molecular Formula
C16H33NO2
SMILES
CCCCCCN(CCCCCC)CC(=O)OCC
InChI
InChI=1S/C16H33NO2/c1-4-7-9-11-13-17(14-12-10-8-5-2)15-16(18)19-6-3/h4-15H2,1-3H3
InChIKey
CWZCDPXXTWLHPO-UHFFFAOYSA-N
Compound name
ethyl 2-(dihexylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.25113 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.25841 174.4
[M+Na]+ 294.24035 176.9
[M-H]- 270.24385 174.4
[M+NH4]+ 289.28495 191.3
[M+K]+ 310.21429 176.2
[M+H-H2O]+ 254.24839 167.4
[M+HCOO]- 316.24933 196.1
[M+CH3COO]- 330.26498 208.8
[M+Na-2H]- 292.22580 174.3
[M]+ 271.25058 181.5
[M]- 271.25168 181.5
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

patents stripe