CID 70104

2,3-dihydro-1-methyl-1h-phosphole 1-oxide

Structural Information

Molecular Formula
C5H9OP
SMILES
CP1(=O)CCC=C1
InChI
InChI=1S/C5H9OP/c1-7(6)4-2-3-5-7/h2,4H,3,5H2,1H3
InChIKey
IUUONVQOMMQAEH-UHFFFAOYSA-N
Compound name
1-methyl-2,3-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

970
Patents

116.0391 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04638 122.5
[M+Na]+ 139.02832 133.3
[M+NH4]+ 134.07292 133.1
[M+K]+ 155.00226 127.3
[M-H]- 115.03182 123.8
[M+Na-2H]- 137.01377 129.5
[M]+ 116.03855 124.3
[M]- 116.03965 124.3
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