CID 40030

Brn 5328339

Structural Information

Molecular Formula
C7H13O3P
SMILES
CC(C)C12COP(OC1)OC2
InChI
InChI=1S/C7H13O3P/c1-6(2)7-3-8-11(9-4-7)10-5-7/h6H,3-5H2,1-2H3
InChIKey
JKKXVCKZMHGQLJ-UHFFFAOYSA-N
Compound name
4-propan-2-yl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

176.06023 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06751 140.0
[M+Na]+ 199.04945 144.5
[M-H]- 175.05295 137.7
[M+NH4]+ 194.09405 162.8
[M+K]+ 215.02339 147.8
[M+H-H2O]+ 159.05749 133.2
[M+HCOO]- 221.05843 154.4
[M+CH3COO]- 235.07408 184.6
[M+Na-2H]- 197.03490 150.6
[M]+ 176.05968 144.8
[M]- 176.06078 144.8
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