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

1606
Patents

154.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 136.5
[M+Na]+ 177.088598 141.4
[M-H]- 153.092104 138.0
[M+NH4]+ 172.133203 158.2
[M+K]+ 193.062538 140.0
[M+H-H2O]+ 137.096640 131.6
[M+HCOO]- 199.097581 156.1
[M+CH3COO]- 213.113231 172.8
[M+Na-2H]- 175.074046 137.4
[M]+ 154.09883142 132.4
[M]- 154.09992858 132.4
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