CID 119991

Compound 6499

Structural Information

Molecular Formula
C8H22N2O5P2
SMILES
CCOP(=O)(N(C)C)OP(=O)(N(C)C)OCC
InChI
InChI=1S/C8H22N2O5P2/c1-7-13-16(11,9(3)4)15-17(12,10(5)6)14-8-2/h7-8H2,1-6H3
InChIKey
IZTQPCTXSWRFSB-UHFFFAOYSA-N
Compound name
N-[[dimethylamino(ethoxy)phosphoryl]oxy-ethoxyphosphoryl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

288.1004 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10768 165.8
[M+Na]+ 311.08962 170.8
[M-H]- 287.09312 166.5
[M+NH4]+ 306.13422 190.6
[M+K]+ 327.06356 174.7
[M+H-H2O]+ 271.09766 155.6
[M+HCOO]- 333.09860 199.2
[M+CH3COO]- 347.11425 213.2
[M+Na-2H]- 309.07507 167.6
[M]+ 288.09985 176.6
[M]- 288.10095 176.6
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