CID 93789

Butyl 4-(dimethylamino)benzoate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCCCOC(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C13H19NO2/c1-4-5-10-16-13(15)11-6-8-12(9-7-11)14(2)3/h6-9H,4-5,10H2,1-3H3
InChIKey
FOYJYXHISWUSDL-UHFFFAOYSA-N
Compound name
butyl 4-(dimethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2607
Patents

221.14159 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 151.8
[M+Na]+ 244.130808 157.8
[M-H]- 220.134314 156.6
[M+NH4]+ 239.175413 170.7
[M+K]+ 260.104748 157.2
[M+H-H2O]+ 204.138850 144.9
[M+HCOO]- 266.139791 176.2
[M+CH3COO]- 280.155441 196.2
[M+Na-2H]- 242.116256 155.4
[M]+ 221.14104142 155.5
[M]- 221.14213858 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe