CID 12643946

61247-91-4

Structural Information

Molecular Formula
C5H9O2P
SMILES
CP1(=O)C[C@@H]2[C@H](C1)O2
InChI
InChI=1S/C5H9O2P/c1-8(6)2-4-5(3-8)7-4/h4-5H,2-3H2,1H3/t4-,5+,8?
InChIKey
CANJRMOZHXYICM-WSUMQKFRSA-N
Compound name
(1S,5R)-3-methyl-6-oxa-3lambda5-phosphabicyclo[3.1.0]hexane 3-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.03401 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04129 126.1
[M+Na]+ 155.02323 137.4
[M-H]- 131.02673 131.6
[M+NH4]+ 150.06783 147.3
[M+K]+ 170.99717 137.4
[M+H-H2O]+ 115.03127 120.2
[M+HCOO]- 177.03221 153.3
[M+CH3COO]- 191.04786 174.6
[M+Na-2H]- 153.00868 131.7
[M]+ 132.03346 131.1
[M]- 132.03456 131.1
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

No patent data available for this compound.