CID 19380503

4-(pent-4-en-1-yl)benzoic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C=CCCCC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C12H14O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h2,6-9H,1,3-5H2,(H,13,14)
InChIKey
BVICKEGWUPLISP-UHFFFAOYSA-N
Compound name
4-pent-4-enylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

190.09938 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 141.8
[M+Na]+ 213.088598 148.7
[M-H]- 189.092104 143.9
[M+NH4]+ 208.133203 160.8
[M+K]+ 229.062538 145.5
[M+H-H2O]+ 173.096640 136.1
[M+HCOO]- 235.097581 163.7
[M+CH3COO]- 249.113231 182.0
[M+Na-2H]- 211.074046 146.0
[M]+ 190.09883142 142.2
[M]- 190.09992858 142.2
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