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

150
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 127.7
[M+Na]+ 149.05730 136.4
[M+NH4]+ 144.10190 135.6
[M+K]+ 165.03124 133.3
[M-H]- 125.06080 127.5
[M+Na-2H]- 147.04275 130.9
[M]+ 126.06753 128.4
[M]- 126.06863 128.4
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