CID 285304

2-hydroxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinan-2-one

Structural Information

Molecular Formula
C5H11O4P
SMILES
CC1(COP(=O)(OC1)O)C
InChI
InChI=1S/C5H11O4P/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3,(H,6,7)
InChIKey
ODCNAKMVBMFRKD-UHFFFAOYSA-N
Compound name
2-hydroxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

166.03949 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04677 131.2
[M+Na]+ 189.02871 139.3
[M-H]- 165.03221 134.0
[M+NH4]+ 184.07331 153.0
[M+K]+ 205.00265 141.9
[M+H-H2O]+ 149.03675 125.8
[M+HCOO]- 211.03769 155.5
[M+CH3COO]- 225.05334 172.7
[M+Na-2H]- 187.01416 138.4
[M]+ 166.03894 132.5
[M]- 166.04004 132.5
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

patents stripe