CID 494510

Nsc625804

Structural Information

Molecular Formula
C13H18NO2P
SMILES
CC1C(OP(=O)(N1C)CC=C)C2=CC=CC=C2
InChI
InChI=1S/C13H18NO2P/c1-4-10-17(15)14(3)11(2)13(16-17)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3
InChIKey
MYGKXPFVVGVJJU-UHFFFAOYSA-N
Compound name
3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10751 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11479 156.1
[M+Na]+ 274.09673 164.6
[M-H]- 250.10023 161.2
[M+NH4]+ 269.14133 175.2
[M+K]+ 290.07067 162.5
[M+H-H2O]+ 234.10477 147.4
[M+HCOO]- 296.10571 182.4
[M+CH3COO]- 310.12136 194.6
[M+Na-2H]- 272.08218 156.2
[M]+ 251.10696 157.9
[M]- 251.10806 157.9
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.