CID 38334

Trans-2-ethyl-3,5,5-trimethyl-1,2-oxaphospholan-3-ol 2-oxide

Structural Information

Molecular Formula
C8H17O3P
SMILES
CCP1(=O)C(CC(O1)(C)C)(C)O
InChI
InChI=1S/C8H17O3P/c1-5-12(10)8(4,9)6-7(2,3)11-12/h9H,5-6H2,1-4H3
InChIKey
OWSLIKTYMPKFHD-UHFFFAOYSA-N
Compound name
2-ethyl-3,5,5-trimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.09154 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09882 135.0
[M+Na]+ 215.08076 144.6
[M-H]- 191.08426 137.7
[M+NH4]+ 210.12536 161.4
[M+K]+ 231.05470 144.9
[M+H-H2O]+ 175.08880 131.5
[M+HCOO]- 237.08974 161.2
[M+CH3COO]- 251.10539 180.3
[M+Na-2H]- 213.06621 140.1
[M]+ 192.09099 138.3
[M]- 192.09209 138.3
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.