CID 19743151

(e)-3-cyclopentyl-2-methylacrylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C/C(=C\C1CCCC1)/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)/b7-6+
InChIKey
CJCPUSYBAQVMQR-VOTSOKGWSA-N
Compound name
(E)-3-cyclopentyl-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1556
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 141.4
[M-H]- 153.09210 138.0
[M+NH4]+ 172.13320 158.2
[M+K]+ 193.06254 140.0
[M+H-H2O]+ 137.09664 131.6
[M+HCOO]- 199.09758 156.1
[M+CH3COO]- 213.11323 172.8
[M+Na-2H]- 175.07405 137.4
[M]+ 154.09883 132.4
[M]- 154.09993 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