CID 99408

Phosphine oxide, cyclopentyldiisobutyl-

Structural Information

Molecular Formula
C13H27OP
SMILES
CC(C)CP(=O)(CC(C)C)C1CCCC1
InChI
InChI=1S/C13H27OP/c1-11(2)9-15(14,10-12(3)4)13-7-5-6-8-13/h11-13H,5-10H2,1-4H3
InChIKey
QVKICQGGMNQWFN-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl)phosphorylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.17995 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18723 163.0
[M+Na]+ 253.16917 166.2
[M-H]- 229.17267 164.1
[M+NH4]+ 248.21377 183.1
[M+K]+ 269.14311 165.0
[M+H-H2O]+ 213.17721 155.4
[M+HCOO]- 275.17815 185.8
[M+CH3COO]- 289.19380 194.4
[M+Na-2H]- 251.15462 159.2
[M]+ 230.17940 162.6
[M]- 230.18050 162.6
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.