CID 29469

9000 hc

Structural Information

Molecular Formula
C13H35N4O2P
SMILES
CCCOP(=O)(NCC[N+](C)(C)C)NCC[N+](C)(C)C
InChI
InChI=1S/C13H35N4O2P/c1-8-13-19-20(18,14-9-11-16(2,3)4)15-10-12-17(5,6)7/h8-13H2,1-7H3,(H2,14,15,18)/q+2
InChIKey
QJJYHUOXHRQVAO-UHFFFAOYSA-N
Compound name
trimethyl-[2-[[propoxy-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.24976 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.25704 168.5
[M+Na]+ 333.23898 231.2
[M-H]- 309.24248 224.6
[M+NH4]+ 328.28358 222.3
[M+K]+ 349.21292 161.2
[M+H-H2O]+ 293.24702 165.9
[M+HCOO]- 355.24796 243.6
[M+CH3COO]- 369.26361 211.0
[M+Na-2H]- 331.22443 180.5
[M]+ 310.24921 215.1
[M]- 310.25031 215.1
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.