CID 10845958

4-(4-propylphenyl)butanoic acid

Structural Information

Molecular Formula
C13H18O2
SMILES
CCCC1=CC=C(C=C1)CCCC(=O)O
InChI
InChI=1S/C13H18O2/c1-2-4-11-7-9-12(10-8-11)5-3-6-13(14)15/h7-10H,2-6H2,1H3,(H,14,15)
InChIKey
HZWVRQFQUNIIBG-UHFFFAOYSA-N
Compound name
4-(4-propylphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

206.13068 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 147.9
[M+Na]+ 229.11990 154.2
[M-H]- 205.12340 149.8
[M+NH4]+ 224.16450 166.4
[M+K]+ 245.09384 151.3
[M+H-H2O]+ 189.12794 142.0
[M+HCOO]- 251.12888 169.4
[M+CH3COO]- 265.14453 185.9
[M+Na-2H]- 227.10535 151.6
[M]+ 206.13013 149.4
[M]- 206.13123 149.4
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