CID 10269014

748763-03-3

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C18H29NO3/c1-3-5-12-19(13-6-4-2)14-7-15-22-17-10-8-16(9-11-17)18(20)21/h8-11H,3-7,12-15H2,1-2H3,(H,20,21)
InChIKey
SPPUXULYIUEQMC-UHFFFAOYSA-N
Compound name
4-[3-(dibutylamino)propoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

307.21475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 178.2
[M+Na]+ 330.20397 181.3
[M-H]- 306.20747 180.4
[M+NH4]+ 325.24857 192.6
[M+K]+ 346.17791 179.2
[M+H-H2O]+ 290.21201 170.2
[M+HCOO]- 352.21295 199.6
[M+CH3COO]- 366.22860 211.3
[M+Na-2H]- 328.18942 178.6
[M]+ 307.21420 183.3
[M]- 307.21530 183.3
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