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]+ 175.08824 136.7
[M+Na]+ 197.07018 144.9
[M-H]- 173.07368 139.4
[M+NH4]+ 192.11478 161.6
[M+K]+ 213.04412 144.1
[M+H-H2O]+ 157.07822 130.3
[M+HCOO]- 219.07916 166.6
[M+CH3COO]- 233.09481 179.7
[M+Na-2H]- 195.05563 139.1
[M]+ 174.08041 139.9
[M]- 174.08151 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.