CID 15376598

(methylphosphonoyl)ethane

Structural Information

Molecular Formula
C3H8OP
SMILES
CC[P+](=O)C
InChI
InChI=1S/C3H8OP/c1-3-5(2)4/h3H2,1-2H3/q+1
InChIKey
OTUDIXALQIJASS-UHFFFAOYSA-N
Compound name
ethyl-methyl-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

91.03128 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.038556 116.7
[M+Na]+ 114.02050 125.1
[M-H]- 90.024004 116.9
[M+NH4]+ 109.06510 140.9
[M+K]+ 129.99444 120.5
[M+H-H2O]+ 74.028540 113.8
[M+HCOO]- 136.02948 145.9
[M+CH3COO]- 150.04513 160.2
[M+Na-2H]- 112.00595 123.0
[M]+ 91.030731 117.6
[M]- 91.031829 117.6
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