CID 131752981

Ipomeatetrahydrofuran

Structural Information

Molecular Formula
C15H28O3
SMILES
CC(C)CC(=O)CC1(CCC(O1)C(C)CCO)C
InChI
InChI=1S/C15H28O3/c1-11(2)9-13(17)10-15(4)7-5-14(18-15)12(3)6-8-16/h11-12,14,16H,5-10H2,1-4H3
InChIKey
NQUGBBCWSQRMST-UHFFFAOYSA-N
Compound name
1-[5-(4-hydroxybutan-2-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

256.20386 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.21114 165.7
[M+Na]+ 279.19308 169.3
[M-H]- 255.19658 167.4
[M+NH4]+ 274.23768 184.3
[M+K]+ 295.16702 169.0
[M+H-H2O]+ 239.20112 161.2
[M+HCOO]- 301.20206 181.4
[M+CH3COO]- 315.21771 196.1
[M+Na-2H]- 277.17853 164.0
[M]+ 256.20331 166.7
[M]- 256.20441 166.7
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.