CID 105420

2-butoxyethyl 4-(dimethylamino)benzoate

Structural Information

Molecular Formula
C15H23NO3
SMILES
CCCCOCCOC(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C15H23NO3/c1-4-5-10-18-11-12-19-15(17)13-6-8-14(9-7-13)16(2)3/h6-9H,4-5,10-12H2,1-3H3
InChIKey
PAAVDLDRAZEFGW-UHFFFAOYSA-N
Compound name
2-butoxyethyl 4-(dimethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3779
Patents

265.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 164.2
[M+Na]+ 288.15702 169.2
[M-H]- 264.16052 168.6
[M+NH4]+ 283.20162 181.2
[M+K]+ 304.13096 168.7
[M+H-H2O]+ 248.16506 156.7
[M+HCOO]- 310.16600 188.2
[M+CH3COO]- 324.18165 204.2
[M+Na-2H]- 286.14247 166.8
[M]+ 265.16725 170.1
[M]- 265.16835 170.1
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.