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 175.4
[M+Na]+ 324.19342 185.2
[M+NH4]+ 319.23802 178.6
[M+K]+ 340.16736 174.6
[M-H]- 300.19692 169.2
[M+Na-2H]- 322.17887 177.0
[M]+ 301.20365 174.1
[M]- 301.20475 174.1
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.