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 136.5
[M+Na]+ 199.04945 142.8
[M-H]- 175.05295 137.4
[M+NH4]+ 194.09405 158.4
[M+K]+ 215.02339 142.1
[M+H-H2O]+ 159.05749 130.2
[M+HCOO]- 221.05843 161.0
[M+CH3COO]- 235.07408 176.5
[M+Na-2H]- 197.03490 137.9
[M]+ 176.05968 134.1
[M]- 176.06078 134.1
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