CID 9950

Dipropylaminopropyl p-fluorobenzoate hydrochloride

Structural Information

Molecular Formula
C16H24FNO2
SMILES
CCCN(CCC)CCCOC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C16H24FNO2/c1-3-10-18(11-4-2)12-5-13-20-16(19)14-6-8-15(17)9-7-14/h6-9H,3-5,10-13H2,1-2H3
InChIKey
BJKDVQYYOPQRGF-UHFFFAOYSA-N
Compound name
3-(dipropylamino)propyl 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1791 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18638 168.9
[M+Na]+ 304.16832 173.5
[M-H]- 280.17182 171.5
[M+NH4]+ 299.21292 185.2
[M+K]+ 320.14226 171.7
[M+H-H2O]+ 264.17636 160.3
[M+HCOO]- 326.17730 191.2
[M+CH3COO]- 340.19295 207.9
[M+Na-2H]- 302.15377 170.2
[M]+ 281.17855 172.5
[M]- 281.17965 172.5
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.