CID 155820004

2752190-97-7

Structural Information

Molecular Formula
C8H15O3P
SMILES
CP(=O)(C)[C@@H]1CCC[C@H]1C(=O)O
InChI
InChI=1S/C8H15O3P/c1-12(2,11)7-5-3-4-6(7)8(9)10/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m1/s1
InChIKey
MAVYABNOXIGBSX-RNFRBKRXSA-N
Compound name
(1S,2R)-2-dimethylphosphorylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07588 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08316 142.9
[M+Na]+ 213.06510 149.0
[M-H]- 189.06860 143.7
[M+NH4]+ 208.10970 164.1
[M+K]+ 229.03904 148.1
[M+H-H2O]+ 173.07314 136.4
[M+HCOO]- 235.07408 167.5
[M+CH3COO]- 249.08973 180.0
[M+Na-2H]- 211.05055 142.4
[M]+ 190.07533 141.9
[M]- 190.07643 141.9
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.