CID 5287452

2-(2-hydroxy-cyclopentyl)-pent-4-enal

Structural Information

Molecular Formula
C10H16O2
SMILES
C=CC[C@@H](C=O)[C@H]1CCC[C@@H]1O
InChI
InChI=1S/C10H16O2/c1-2-4-8(7-11)9-5-3-6-10(9)12/h2,7-10,12H,1,3-6H2/t8-,9+,10-/m0/s1
InChIKey
NEWBFDLFXDTFGD-AEJSXWLSSA-N
Compound name
(2R)-2-[(1R,2S)-2-hydroxycyclopentyl]pent-4-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 139.6
[M+Na]+ 191.10426 145.2
[M-H]- 167.10776 141.2
[M+NH4]+ 186.14886 161.0
[M+K]+ 207.07820 143.0
[M+H-H2O]+ 151.11230 134.7
[M+HCOO]- 213.11324 159.9
[M+CH3COO]- 227.12889 176.8
[M+Na-2H]- 189.08971 140.6
[M]+ 168.11449 136.9
[M]- 168.11559 136.9
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

No patent data available for this compound.