CID 97977

85050-11-9

Structural Information

Molecular Formula
C10H14O2
SMILES
C=CCC(C1CCC=C1)C(=O)O
InChI
InChI=1S/C10H14O2/c1-2-5-9(10(11)12)8-6-3-4-7-8/h2-3,6,8-9H,1,4-5,7H2,(H,11,12)
InChIKey
UOSVWXJMXKEOON-UHFFFAOYSA-N
Compound name
2-cyclopent-2-en-1-ylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.106656 139.0
[M+Na]+ 189.088598 144.4
[M-H]- 165.092104 140.6
[M+NH4]+ 184.133203 160.2
[M+K]+ 205.062538 142.4
[M+H-H2O]+ 149.096640 133.7
[M+HCOO]- 211.097581 159.7
[M+CH3COO]- 225.113231 176.1
[M+Na-2H]- 187.074046 140.3
[M]+ 166.09883142 136.7
[M]- 166.09992858 136.7
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.