CID 110368

2-methylpropyl 2-(dimethylamino)benzoate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)COC(=O)C1=CC=CC=C1N(C)C
InChI
InChI=1S/C13H19NO2/c1-10(2)9-16-13(15)11-7-5-6-8-12(11)14(3)4/h5-8,10H,9H2,1-4H3
InChIKey
KWNYRTDLTSGITQ-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-(dimethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

221.14159 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 151.8
[M+Na]+ 244.130808 157.5
[M-H]- 220.134314 156.7
[M+NH4]+ 239.175413 170.6
[M+K]+ 260.104748 157.5
[M+H-H2O]+ 204.138850 145.1
[M+HCOO]- 266.139791 175.3
[M+CH3COO]- 280.155441 197.1
[M+Na-2H]- 242.116256 154.2
[M]+ 221.14104142 154.9
[M]- 221.14213858 154.9
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