CID 5249566

527704-58-1

Structural Information

Molecular Formula
C11H22NO4P
SMILES
CC(C)OP(=O)(C1(CCC=[N+]1[O-])C)OC(C)C
InChI
InChI=1S/C11H22NO4P/c1-9(2)15-17(14,16-10(3)4)11(5)7-6-8-12(11)13/h8-10H,6-7H2,1-5H3
InChIKey
JQERKXDWSAKBRU-UHFFFAOYSA-N
Compound name
2-di(propan-2-yloxy)phosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

263.12863 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13591 161.2
[M+Na]+ 286.11785 167.2
[M-H]- 262.12135 161.3
[M+NH4]+ 281.16245 180.0
[M+K]+ 302.09179 162.9
[M+H-H2O]+ 246.12589 159.3
[M+HCOO]- 308.12683 184.8
[M+CH3COO]- 322.14248 186.9
[M+Na-2H]- 284.10330 164.2
[M]+ 263.12808 163.0
[M]- 263.12918 163.0
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

patents stripe