CID 4186723

2,8,9-trimethyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane hydrochloride

Structural Information

Molecular Formula
C9H21N4P
SMILES
CN1CCN2CCN(P1N(CC2)C)C
InChI
InChI=1S/C9H21N4P/c1-10-4-7-13-8-5-11(2)14(10)12(3)6-9-13/h4-9H2,1-3H3
InChIKey
PCYSWBQHCWWSFW-UHFFFAOYSA-N
Compound name
2,8,9-trimethyl-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

408
Patents

216.15039 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15767 114.5
[M+Na]+ 239.13961 114.6
[M-H]- 215.14311 114.6
[M+NH4]+ 234.18421 114.6
[M+K]+ 255.11355 114.6
[M+H-H2O]+ 199.14765 114.5
[M+HCOO]- 261.14859 114.5
[M+CH3COO]- 275.16424 114.5
[M+Na-2H]- 237.12506 114.4
[M]+ 216.14984 114.5
[M]- 216.15094 114.5
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