CID 55298899

945460-43-5

Structural Information

Molecular Formula
C5H12NOP
SMILES
CP1(=O)CCNCC1
InChI
InChI=1S/C5H12NOP/c1-8(7)4-2-6-3-5-8/h6H,2-5H2,1H3
InChIKey
UHFYKYIWDOJNDR-UHFFFAOYSA-N
Compound name
4-methyl-1,4lambda5-azaphosphinane 4-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

133.06566 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.072936 128.6
[M+Na]+ 156.054878 134.8
[M-H]- 132.058384 127.9
[M+NH4]+ 151.099483 150.8
[M+K]+ 172.028818 133.7
[M+H-H2O]+ 116.062920 121.4
[M+HCOO]- 178.063861 152.8
[M+CH3COO]- 192.079511 167.9
[M+Na-2H]- 154.040326 132.4
[M]+ 133.06511142 123.9
[M]- 133.06620858 123.9
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

patents stripe