CID 84919

15450-68-7

Structural Information

Molecular Formula
C6H11OP
SMILES
CC1=CP(=O)(CC1)C
InChI
InChI=1S/C6H11OP/c1-6-3-4-8(2,7)5-6/h5H,3-4H2,1-2H3
InChIKey
KZFJYCRQWKWYJE-UHFFFAOYSA-N
Compound name
1,4-dimethyl-2,3-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
Patents

130.05475 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06203 124.2
[M+Na]+ 153.04397 133.3
[M-H]- 129.04747 127.3
[M+NH4]+ 148.08857 150.9
[M+K]+ 169.01791 132.6
[M+H-H2O]+ 113.05201 118.3
[M+HCOO]- 175.05295 154.5
[M+CH3COO]- 189.06860 171.6
[M+Na-2H]- 151.02942 127.6
[M]+ 130.05420 125.2
[M]- 130.05530 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe