CID 500039

Nsc625806

Structural Information

Molecular Formula
C15H22NO2P
SMILES
CC1C(OP(=O)(N1C(C)C)CC=C)C2=CC=CC=C2
InChI
InChI=1S/C15H22NO2P/c1-5-11-19(17)16(12(2)3)13(4)15(18-19)14-9-7-6-8-10-14/h5-10,12-13,15H,1,11H2,2-4H3
InChIKey
GJFLEVRQAHBHOM-UHFFFAOYSA-N
Compound name
4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14610 165.7
[M+Na]+ 302.12804 173.0
[M-H]- 278.13154 170.5
[M+NH4]+ 297.17264 183.6
[M+K]+ 318.10198 171.0
[M+H-H2O]+ 262.13608 156.8
[M+HCOO]- 324.13702 190.3
[M+CH3COO]- 338.15267 201.4
[M+Na-2H]- 300.11349 163.5
[M]+ 279.13827 167.6
[M]- 279.13937 167.6
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.