CID 105356

Pentyl 2-(dimethylamino)benzoate

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCCCCOC(=O)C1=CC=CC=C1N(C)C
InChI
InChI=1S/C14H21NO2/c1-4-5-8-11-17-14(16)12-9-6-7-10-13(12)15(2)3/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKey
CMOMUQUTZFSRKI-UHFFFAOYSA-N
Compound name
pentyl 2-(dimethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

235.15723 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 156.5
[M+Na]+ 258.146448 162.1
[M-H]- 234.149954 161.1
[M+NH4]+ 253.191053 174.8
[M+K]+ 274.120388 161.2
[M+H-H2O]+ 218.154490 149.4
[M+HCOO]- 280.155431 180.6
[M+CH3COO]- 294.171081 199.2
[M+Na-2H]- 256.131896 159.6
[M]+ 235.15668142 160.6
[M]- 235.15777858 160.6
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