CID 177800158

1-(dimethylphosphoryl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H13O3P
SMILES
CP(=O)(C)C1(CCC1)C(=O)O
InChI
InChI=1S/C7H13O3P/c1-11(2,10)7(6(8)9)4-3-5-7/h3-5H2,1-2H3,(H,8,9)
InChIKey
YNCGPTNMGDGFQZ-UHFFFAOYSA-N
Compound name
1-dimethylphosphorylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06023 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06751 140.5
[M+Na]+ 199.04945 146.0
[M-H]- 175.05295 141.8
[M+NH4]+ 194.09405 155.9
[M+K]+ 215.02339 148.5
[M+H-H2O]+ 159.05749 130.3
[M+HCOO]- 221.05843 164.1
[M+CH3COO]- 235.07408 180.7
[M+Na-2H]- 197.03490 143.3
[M]+ 176.05968 149.6
[M]- 176.06078 149.6
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

No patent data available for this compound.