CID 182473

65189-79-9

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(C)CCC1=CC=C(C=C1)C(C)CC(=O)O
InChI
InChI=1S/C15H22O2/c1-11(2)4-5-13-6-8-14(9-7-13)12(3)10-15(16)17/h6-9,11-12H,4-5,10H2,1-3H3,(H,16,17)
InChIKey
ANHVCHYRRRCGAF-UHFFFAOYSA-N
Compound name
3-[4-(3-methylbutyl)phenyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 157.1
[M+Na]+ 257.15121 167.8
[M+NH4]+ 252.19581 164.3
[M+K]+ 273.12515 162.2
[M-H]- 233.15471 158.0
[M+Na-2H]- 255.13666 161.4
[M]+ 234.16144 158.7
[M]- 234.16254 158.7
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.