CID 13153966

1,4,7,10-tetraoxacyclotridecan-12-ol

Structural Information

Molecular Formula
C9H18O5
SMILES
C1COCCOCC(COCCO1)O
InChI
InChI=1S/C9H18O5/c10-9-7-13-5-3-11-1-2-12-4-6-14-8-9/h9-10H,1-8H2
InChIKey
SYSOZAATGIIPOQ-UHFFFAOYSA-N
Compound name
1,4,7,10-tetraoxacyclotridecan-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.11542 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.122696 144.1
[M+Na]+ 229.104638 146.8
[M-H]- 205.108144 145.8
[M+NH4]+ 224.149243 153.4
[M+K]+ 245.078578 152.0
[M+H-H2O]+ 189.112680 142.1
[M+HCOO]- 251.113621 156.9
[M+CH3COO]- 265.129271 172.8
[M+Na-2H]- 227.090086 150.8
[M]+ 206.11487142 138.1
[M]- 206.11596858 138.1
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

patents stripe