CID 551274

281676-71-9

Structural Information

Molecular Formula
C12H24O2
SMILES
CCC(CCC(C)O)CC1CCCO1
InChI
InChI=1S/C12H24O2/c1-3-11(7-6-10(2)13)9-12-5-4-8-14-12/h10-13H,3-9H2,1-2H3
InChIKey
WRDHXNUNGYABFV-UHFFFAOYSA-N
Compound name
5-(oxolan-2-ylmethyl)heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.17763 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 153.0
[M+Na]+ 223.16685 156.0
[M-H]- 199.17035 154.4
[M+NH4]+ 218.21145 171.7
[M+K]+ 239.14079 155.8
[M+H-H2O]+ 183.17489 147.4
[M+HCOO]- 245.17583 170.2
[M+CH3COO]- 259.19148 184.2
[M+Na-2H]- 221.15230 153.1
[M]+ 200.17708 152.0
[M]- 200.17818 152.0
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.