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

No literature data available for this compound.

Patent stripe

patents stripe