CID 85617

Cyclopentyl acrylate

Structural Information

Molecular Formula
C8H12O2
SMILES
C=CC(=O)OC1CCCC1
InChI
InChI=1S/C8H12O2/c1-2-8(9)10-7-5-3-4-6-7/h2,7H,1,3-6H2
InChIKey
BTQLDZMOTPTCGG-UHFFFAOYSA-N
Compound name
cyclopentyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5215
Patents

140.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.7
[M+Na]+ 163.07294 136.7
[M-H]- 139.07644 133.7
[M+NH4]+ 158.11754 153.7
[M+K]+ 179.04688 136.0
[M+H-H2O]+ 123.08098 125.6
[M+HCOO]- 185.08192 153.2
[M+CH3COO]- 199.09757 171.6
[M+Na-2H]- 161.05839 133.9
[M]+ 140.08317 128.7
[M]- 140.08427 128.7
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