CID 200903

2921-64-4

Structural Information

Molecular Formula
C8H15O2P
SMILES
CCCOP1(=O)CC=C(C1)C
InChI
InChI=1S/C8H15O2P/c1-3-5-10-11(9)6-4-8(2)7-11/h4H,3,5-7H2,1-2H3
InChIKey
BJLIWRLAODZOKG-UHFFFAOYSA-N
Compound name
3-methyl-1-propoxy-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.08096 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.088236 136.7
[M+Na]+ 197.070178 144.9
[M-H]- 173.073684 139.4
[M+NH4]+ 192.114783 161.6
[M+K]+ 213.044118 144.1
[M+H-H2O]+ 157.078220 130.3
[M+HCOO]- 219.079161 166.6
[M+CH3COO]- 233.094811 179.7
[M+Na-2H]- 195.055626 139.1
[M]+ 174.08041142 139.9
[M]- 174.08150858 139.9
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

No patent data available for this compound.