CID 130701571

2-(oxan-4-yl)pent-4-en-2-ol

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(CC=C)(C1CCOCC1)O
InChI
InChI=1S/C10H18O2/c1-3-6-10(2,11)9-4-7-12-8-5-9/h3,9,11H,1,4-8H2,2H3
InChIKey
RKXPWVYWQSGNPC-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)pent-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 139.2
[M+Na]+ 193.119898 143.5
[M-H]- 169.123404 141.1
[M+NH4]+ 188.164503 157.5
[M+K]+ 209.093838 142.9
[M+H-H2O]+ 153.127940 134.3
[M+HCOO]- 215.128881 155.8
[M+CH3COO]- 229.144531 176.2
[M+Na-2H]- 191.105346 145.2
[M]+ 170.13013142 135.7
[M]- 170.13122858 135.7
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.