CID 98611

2-phospholene, 1-hydroxy-3-methyl-, 1-oxide

Structural Information

Molecular Formula
C5H9O2P
SMILES
CC1=CP(=O)(CC1)O
InChI
InChI=1S/C5H9O2P/c1-5-2-3-8(6,7)4-5/h4H,2-3H2,1H3,(H,6,7)
InChIKey
IZGYVCZECHLMBK-UHFFFAOYSA-N
Compound name
1-hydroxy-4-methyl-2,3-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

132.03401 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04129 125.3
[M+Na]+ 155.02323 135.4
[M+NH4]+ 150.06783 135.0
[M+K]+ 170.99717 130.5
[M-H]- 131.02673 125.6
[M+Na-2H]- 153.00868 131.0
[M]+ 132.03346 126.7
[M]- 132.03456 126.7
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