CID 32164

23959-17-3

Structural Information

Molecular Formula
C16H25NO4
SMILES
CCCCOC1=C(C=CC=C1OC)C(=O)OCCN(C)C
InChI
InChI=1S/C16H25NO4/c1-5-6-11-20-15-13(8-7-9-14(15)19-4)16(18)21-12-10-17(2)3/h7-9H,5-6,10-12H2,1-4H3
InChIKey
NSOUVFONEHMROH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-butoxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 171.0
[M+Na]+ 318.167558 176.4
[M-H]- 294.171064 175.5
[M+NH4]+ 313.212163 187.0
[M+K]+ 334.141498 176.3
[M+H-H2O]+ 278.175600 163.3
[M+HCOO]- 340.176541 194.9
[M+CH3COO]- 354.192191 210.5
[M+Na-2H]- 316.153006 172.5
[M]+ 295.17779142 179.1
[M]- 295.17888858 179.1
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

No patent data available for this compound.