CID 53992

77967-17-0

Structural Information

Molecular Formula
C11H19NO4P
SMILES
C[N+](C)(C)C1=CC(=CC=C1)OP(=O)(OC)OC
InChI
InChI=1S/C11H19NO4P/c1-12(2,3)10-7-6-8-11(9-10)16-17(13,14-4)15-5/h6-9H,1-5H3/q+1
InChIKey
PKBAHQLVXVZKDL-UHFFFAOYSA-N
Compound name
(3-dimethoxyphosphoryloxyphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10516 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11244 156.6
[M+Na]+ 283.09438 163.8
[M-H]- 259.09788 161.1
[M+NH4]+ 278.13898 174.6
[M+K]+ 299.06832 158.9
[M+H-H2O]+ 243.10242 151.2
[M+HCOO]- 305.10336 185.5
[M+CH3COO]- 319.11901 194.1
[M+Na-2H]- 281.07983 165.3
[M]+ 260.10461 162.3
[M]- 260.10571 162.3
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.