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]+ 201.184906 153.0
[M+Na]+ 223.166848 156.0
[M-H]- 199.170354 154.4
[M+NH4]+ 218.211453 171.7
[M+K]+ 239.140788 155.8
[M+H-H2O]+ 183.174890 147.4
[M+HCOO]- 245.175831 170.2
[M+CH3COO]- 259.191481 184.2
[M+Na-2H]- 221.152296 153.1
[M]+ 200.17708142 152.0
[M]- 200.17817858 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.