CID 297453

2-cyclopentylideneacetic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CCC(=CC(=O)O)C1
InChI
InChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h5H,1-4H2,(H,8,9)
InChIKey
CGXLEHPBUZPLAZ-UHFFFAOYSA-N
Compound name
2-cyclopentylideneacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

154
Patents

126.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 126.9
[M+Na]+ 149.05730 132.9
[M-H]- 125.06080 128.6
[M+NH4]+ 144.10190 149.8
[M+K]+ 165.03124 131.5
[M+H-H2O]+ 109.06534 122.2
[M+HCOO]- 171.06628 148.2
[M+CH3COO]- 185.08193 165.8
[M+Na-2H]- 147.04275 130.1
[M]+ 126.06753 122.6
[M]- 126.06863 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe