CID 6481640

Cyclohexanepentanoic acid, a-phosphono-

Structural Information

Molecular Formula
C11H21O5P
SMILES
C1CCC(CC1)CCCC(C(=O)O)P(=O)(O)O
InChI
InChI=1S/C11H21O5P/c12-11(13)10(17(14,15)16)8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,12,13)(H2,14,15,16)
InChIKey
YQICVACMODVJND-UHFFFAOYSA-N
Compound name
5-cyclohexyl-2-phosphonopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.11267 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11995 163.3
[M+Na]+ 287.10189 165.0
[M-H]- 263.10539 160.0
[M+NH4]+ 282.14649 177.5
[M+K]+ 303.07583 163.4
[M+H-H2O]+ 247.10993 155.7
[M+HCOO]- 309.11087 181.2
[M+CH3COO]- 323.12652 188.6
[M+Na-2H]- 285.08734 161.0
[M]+ 264.11212 159.4
[M]- 264.11322 159.4
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

No patent data available for this compound.