CID 58891733

1312536-62-1

Structural Information

Molecular Formula
C7H16NOP
SMILES
CC(C)P1(=O)CCNCC1
InChI
InChI=1S/C7H16NOP/c1-7(2)10(9)5-3-8-4-6-10/h7-8H,3-6H2,1-2H3
InChIKey
HMEWALOQRFKWLG-UHFFFAOYSA-N
Compound name
4-propan-2-yl-1,4lambda5-azaphosphinane 4-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

161.09695 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10423 138.1
[M+Na]+ 184.08617 143.1
[M-H]- 160.08967 137.1
[M+NH4]+ 179.13077 159.0
[M+K]+ 200.06011 142.0
[M+H-H2O]+ 144.09421 130.6
[M+HCOO]- 206.09515 160.6
[M+CH3COO]- 220.11080 174.9
[M+Na-2H]- 182.07162 139.6
[M]+ 161.09640 133.4
[M]- 161.09750 133.4
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