CID 87532995

3-[(prop-2-en-1-yl)phosphonoyl]prop-1-ene

Structural Information

Molecular Formula
C6H10OP
SMILES
C=CC[P+](=O)CC=C
InChI
InChI=1S/C6H10OP/c1-3-5-8(7)6-4-2/h3-4H,1-2,5-6H2/q+1
InChIKey
CNXMRQDRJMRKKL-UHFFFAOYSA-N
Compound name
oxo-bis(prop-2-enyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

129.04692 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.054196 127.9
[M+Na]+ 152.036138 135.7
[M-H]- 128.039644 127.6
[M+NH4]+ 147.080743 150.5
[M+K]+ 168.010078 129.1
[M+H-H2O]+ 112.044180 124.6
[M+HCOO]- 174.045121 156.6
[M+CH3COO]- 188.060771 167.1
[M+Na-2H]- 150.021586 132.6
[M]+ 129.04637142 128.6
[M]- 129.04746858 128.6
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