CID 3051641

Brn 2244190

Structural Information

Molecular Formula
C9H20N3P
SMILES
CCC12CN(P(N(C1)C)N(C2)C)C
InChI
InChI=1S/C9H20N3P/c1-5-9-6-10(2)13(11(3)7-9)12(4)8-9/h5-8H2,1-4H3
InChIKey
RGMGQPCJMQKZIR-UHFFFAOYSA-N
Compound name
4-ethyl-2,6,7-trimethyl-2,6,7-triaza-1-phosphabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.13948 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14676 153.5
[M+Na]+ 224.12870 159.7
[M-H]- 200.13220 145.4
[M+NH4]+ 219.17330 176.1
[M+K]+ 240.10264 157.8
[M+H-H2O]+ 184.13674 144.4
[M+HCOO]- 246.13768 166.4
[M+CH3COO]- 260.15333 194.5
[M+Na-2H]- 222.11415 159.3
[M]+ 201.13893 156.1
[M]- 201.14003 156.1
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.