CID 154699574

Ns00117331

Structural Information

Molecular Formula
C13H24O4
SMILES
C1CC(CC2C1CCC(O2)O)OCCCCO
InChI
InChI=1S/C13H24O4/c14-7-1-2-8-16-11-5-3-10-4-6-13(15)17-12(10)9-11/h10-15H,1-9H2
InChIKey
DUMLRPFNBDKIFM-UHFFFAOYSA-N
Compound name
7-(4-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

244.16747 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.174746 156.9
[M+Na]+ 267.156688 159.6
[M-H]- 243.160194 157.5
[M+NH4]+ 262.201293 172.5
[M+K]+ 283.130628 158.3
[M+H-H2O]+ 227.164730 150.8
[M+HCOO]- 289.165671 169.5
[M+CH3COO]- 303.181321 188.2
[M+Na-2H]- 265.142136 160.0
[M]+ 244.16692142 153.3
[M]- 244.16801858 153.3
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.