CID 57973302

1-methyl-1-oxo-1lambda5-phosphinane-4-carboxylic acid

Structural Information

Molecular Formula
C7H13O3P
SMILES
CP1(=O)CCC(CC1)C(=O)O
InChI
InChI=1S/C7H13O3P/c1-11(10)4-2-6(3-5-11)7(8)9/h6H,2-5H2,1H3,(H,8,9)
InChIKey
CHZBTICQVOMFDP-UHFFFAOYSA-N
Compound name
1-methyl-1-oxo-1lambda5-phosphinane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

176.06023 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06751 138.2
[M+Na]+ 199.04945 147.3
[M+NH4]+ 194.09405 146.7
[M+K]+ 215.02339 141.3
[M-H]- 175.05295 138.0
[M+Na-2H]- 197.03490 142.5
[M]+ 176.05968 139.1
[M]- 176.06078 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe