CID 53990

Diisopropylphosphostigmine

Structural Information

Molecular Formula
C15H27NO4P
SMILES
CC(C)OP(=O)(OC1=CC=CC(=C1)[N+](C)(C)C)OC(C)C
InChI
InChI=1S/C15H27NO4P/c1-12(2)18-21(17,19-13(3)4)20-15-10-8-9-14(11-15)16(5,6)7/h8-13H,1-7H3/q+1
InChIKey
QBFMIZGLHFVPCT-UHFFFAOYSA-N
Compound name
[3-di(propan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16776 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17504 174.2
[M+Na]+ 339.15698 179.2
[M-H]- 315.16048 178.2
[M+NH4]+ 334.20158 189.8
[M+K]+ 355.13092 174.4
[M+H-H2O]+ 299.16502 168.4
[M+HCOO]- 361.16596 199.9
[M+CH3COO]- 375.18161 207.5
[M+Na-2H]- 337.14243 178.7
[M]+ 316.16721 180.1
[M]- 316.16831 180.1
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.