CID 16684587

1,3-propanediol, 2-(hydroxymethyl)-2-propyl-, cyclic ester with antimonic acid

Structural Information

Molecular Formula
C7H13O3Sb
SMILES
CCCC12CO[Sb](OC1)OC2
InChI
InChI=1S/C7H13O3.Sb/c1-2-3-7(4-8,5-9)6-10;/h2-6H2,1H3;/q-3;+3
InChIKey
HNTPIODRSPVCNF-UHFFFAOYSA-N
Compound name
4-propyl-2,6,7-trioxa-1-stibabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.99026 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99754 147.6
[M+Na]+ 288.97948 151.8
[M-H]- 264.98298 145.7
[M+NH4]+ 284.02408 169.7
[M+K]+ 304.95342 154.1
[M+H-H2O]+ 248.98752 142.0
[M+HCOO]- 310.98846 156.8
[M+CH3COO]- 325.00411 158.2
[M+Na-2H]- 286.96493 161.4
[M]+ 265.98971 152.3
[M]- 265.99081 152.3
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.