CID 70256

2,5-dihydro-1-methyl-1h-phosphole 1-oxide

Structural Information

Molecular Formula
C5H9OP
SMILES
CP1(=O)CC=CC1
InChI
InChI=1S/C5H9OP/c1-7(6)4-2-3-5-7/h2-3H,4-5H2,1H3
InChIKey
MQLQAXIVFGHSDE-UHFFFAOYSA-N
Compound name
1-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

116.0391 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04638 120.9
[M+Na]+ 139.02832 129.5
[M-H]- 115.03182 123.8
[M+NH4]+ 134.07292 147.8
[M+K]+ 155.00226 129.0
[M+H-H2O]+ 99.036360 114.9
[M+HCOO]- 161.03730 151.6
[M+CH3COO]- 175.05295 167.5
[M+Na-2H]- 137.01377 125.3
[M]+ 116.03855 121.2
[M]- 116.03965 121.2
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