CID 49029

3-(dimethylamino)propyl 4-butoxy-3-methylbenzoate

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCCCOC1=C(C=C(C=C1)C(=O)OCCCN(C)C)C
InChI
InChI=1S/C17H27NO3/c1-5-6-11-20-16-9-8-15(13-14(16)2)17(19)21-12-7-10-18(3)4/h8-9,13H,5-7,10-12H2,1-4H3
InChIKey
QPAHKFXMGSVTNA-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 4-butoxy-3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 172.1
[M+Na]+ 316.18832 182.4
[M+NH4]+ 311.23292 178.6
[M+K]+ 332.16226 176.1
[M-H]- 292.19182 173.9
[M+Na-2H]- 314.17377 176.4
[M]+ 293.19855 173.9
[M]- 293.19965 173.9
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

No patent data available for this compound.