CID 6083612

(e)-3-(4-pentylphenyl)but-2-enoic acid

Structural Information

Molecular Formula
C15H20O2
SMILES
CCCCCC1=CC=C(C=C1)/C(=C/C(=O)O)/C
InChI
InChI=1S/C15H20O2/c1-3-4-5-6-13-7-9-14(10-8-13)12(2)11-15(16)17/h7-11H,3-6H2,1-2H3,(H,16,17)/b12-11+
InChIKey
CRVLBCGJELEIKF-VAWYXSNFSA-N
Compound name
(E)-3-(4-pentylphenyl)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

232.14633 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 156.6
[M+Na]+ 255.13555 167.7
[M+NH4]+ 250.18015 163.6
[M+K]+ 271.10949 161.1
[M-H]- 231.13905 157.4
[M+Na-2H]- 253.12100 161.1
[M]+ 232.14578 158.2
[M]- 232.14688 158.2
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