CID 133497

80531-03-9

Structural Information

Molecular Formula
C12H19NO4P
SMILES
C[N+](C)(C)C1=CC=CC(C1=O)OP2OCCCO2
InChI
InChI=1S/C12H19NO4P/c1-13(2,3)10-6-4-7-11(12(10)14)17-18-15-8-5-9-16-18/h4,6-7,11H,5,8-9H2,1-3H3/q+1
InChIKey
WUTPODFUFRWBGW-UHFFFAOYSA-N
Compound name
[5-(1,3,2-dioxaphosphinan-2-yloxy)-6-oxocyclohexa-1,3-dien-1-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

272.10516 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11244 161.5
[M+Na]+ 295.09438 166.1
[M-H]- 271.09788 169.3
[M+NH4]+ 290.13898 175.8
[M+K]+ 311.06832 162.5
[M+H-H2O]+ 255.10242 154.8
[M+HCOO]- 317.10336 185.5
[M+CH3COO]- 331.11901 195.3
[M+Na-2H]- 293.07983 168.0
[M]+ 272.10461 161.2
[M]- 272.10571 161.2
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.