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]+ 171.13796 139.2
[M+Na]+ 193.11990 143.5
[M-H]- 169.12340 141.1
[M+NH4]+ 188.16450 157.5
[M+K]+ 209.09384 142.9
[M+H-H2O]+ 153.12794 134.3
[M+HCOO]- 215.12888 155.8
[M+CH3COO]- 229.14453 176.2
[M+Na-2H]- 191.10535 145.2
[M]+ 170.13013 135.7
[M]- 170.13123 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.