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

27
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 123.8
[M+Na]+ 155.02323 132.9
[M-H]- 131.02673 125.6
[M+NH4]+ 150.06783 149.6
[M+K]+ 170.99717 131.9
[M+H-H2O]+ 115.03127 118.2
[M+HCOO]- 177.03221 153.2
[M+CH3COO]- 191.04786 167.8
[M+Na-2H]- 153.00868 127.3
[M]+ 132.03346 124.0
[M]- 132.03456 124.0
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