CID 3019995

Hexyl 4-(dimethylamino)benzoate

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCCCCCOC(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C15H23NO2/c1-4-5-6-7-12-18-15(17)13-8-10-14(11-9-13)16(2)3/h8-11H,4-7,12H2,1-3H3
InChIKey
VUCSJYLUTKBDEM-UHFFFAOYSA-N
Compound name
hexyl 4-(dimethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

249.17288 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 161.2
[M+Na]+ 272.162098 166.3
[M-H]- 248.165604 165.6
[M+NH4]+ 267.206703 179.0
[M+K]+ 288.136038 165.2
[M+H-H2O]+ 232.170140 153.9
[M+HCOO]- 294.171081 185.0
[M+CH3COO]- 308.186731 202.2
[M+Na-2H]- 270.147546 163.7
[M]+ 249.17233142 165.7
[M]- 249.17342858 165.7
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