CID 53723916

3-cyclopentyl-2-methylprop-2-enoic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
CC(=CC1CCCC1)C(=O)O
InChI
InChI=1S/C9H14O2/c1-7(9(10)11)6-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,10,11)
InChIKey
CJCPUSYBAQVMQR-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

754
Patents

154.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 136.5
[M+Na]+ 177.08860 144.5
[M+NH4]+ 172.13320 144.0
[M+K]+ 193.06254 141.7
[M-H]- 153.09210 136.1
[M+Na-2H]- 175.07405 138.9
[M]+ 154.09883 137.1
[M]- 154.09993 137.1
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