CID 84816

2-methyl-1,2-oxaphospholan-5-one 2-oxide

Structural Information

Molecular Formula
C4H7O3P
SMILES
CP1(=O)CCC(=O)O1
InChI
InChI=1S/C4H7O3P/c1-8(6)3-2-4(5)7-8/h2-3H2,1H3
InChIKey
LFMAOMQWCSTELR-UHFFFAOYSA-N
Compound name
2-methyl-2-oxo-1,2lambda5-oxaphospholan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

134.01328 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02056 120.9
[M+Na]+ 157.00250 130.1
[M-H]- 133.00600 124.5
[M+NH4]+ 152.04710 145.9
[M+K]+ 172.97644 131.3
[M+H-H2O]+ 117.01054 115.4
[M+HCOO]- 179.01148 150.2
[M+CH3COO]- 193.02713 168.9
[M+Na-2H]- 154.98795 125.8
[M]+ 134.01273 122.6
[M]- 134.01383 122.6
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