CID 92696

5-hydroxypentyl acrylate

Structural Information

Molecular Formula
C8H14O3
SMILES
C=CC(=O)OCCCCCO
InChI
InChI=1S/C8H14O3/c1-2-8(10)11-7-5-3-4-6-9/h2,9H,1,3-7H2
InChIKey
INRQKLGGIVSJRR-UHFFFAOYSA-N
Compound name
5-hydroxypentyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5114
Patents

158.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 135.2
[M+Na]+ 181.083518 141.6
[M-H]- 157.087024 133.8
[M+NH4]+ 176.128123 155.4
[M+K]+ 197.057458 140.6
[M+H-H2O]+ 141.091560 130.5
[M+HCOO]- 203.092501 157.0
[M+CH3COO]- 217.108151 174.8
[M+Na-2H]- 179.068966 139.5
[M]+ 158.09375142 137.6
[M]- 158.09484858 137.6
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

No patent data available for this compound.