CID 38336

Cis-2-phenyl-3,5,5-trimethyl-1,2-oxaphospholan-3-ol 2-oxide

Structural Information

Molecular Formula
C12H17O3P
SMILES
CC1(CC(P(=O)(O1)C2=CC=CC=C2)(C)O)C
InChI
InChI=1S/C12H17O3P/c1-11(2)9-12(3,13)16(14,15-11)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
InChIKey
IVLUAGYBDRGAPC-UHFFFAOYSA-N
Compound name
3,5,5-trimethyl-2-oxo-2-phenyl-1,2lambda5-oxaphospholan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

240.09154 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09882 148.6
[M+Na]+ 263.08076 158.1
[M-H]- 239.08426 154.5
[M+NH4]+ 258.12536 172.7
[M+K]+ 279.05470 156.9
[M+H-H2O]+ 223.08880 142.7
[M+HCOO]- 285.08974 175.1
[M+CH3COO]- 299.10539 187.8
[M+Na-2H]- 261.06621 152.9
[M]+ 240.09099 150.7
[M]- 240.09209 150.7
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.