CID 3076203

Brn 4750564

Structural Information

Molecular Formula
C19H27NO2
SMILES
CCCCN(CCCC)CC#CCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C19H27NO2/c1-3-5-14-20(15-6-4-2)16-10-11-17-22-19(21)18-12-8-7-9-13-18/h7-9,12-13H,3-6,14-17H2,1-2H3
InChIKey
HJYCEYNFIACZND-UHFFFAOYSA-N
Compound name
4-(dibutylamino)but-2-ynyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 176.0
[M+Na]+ 324.19342 181.7
[M-H]- 300.19692 177.7
[M+NH4]+ 319.23802 189.4
[M+K]+ 340.16736 177.4
[M+H-H2O]+ 284.20146 162.0
[M+HCOO]- 346.20240 192.7
[M+CH3COO]- 360.21805 215.1
[M+Na-2H]- 322.17887 176.3
[M]+ 301.20365 174.6
[M]- 301.20475 174.6
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

No patent data available for this compound.