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

4097
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

literature stripe

Patent stripe

patents stripe