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]+ 169.122316 139.6
[M+Na]+ 191.104258 145.2
[M-H]- 167.107764 141.2
[M+NH4]+ 186.148863 161.0
[M+K]+ 207.078198 143.0
[M+H-H2O]+ 151.112300 134.7
[M+HCOO]- 213.113241 159.9
[M+CH3COO]- 227.128891 176.8
[M+Na-2H]- 189.089706 140.6
[M]+ 168.11449142 136.9
[M]- 168.11558858 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.