CID 77761

Tris(carbamoylethyl)phosphine oxide

Structural Information

Molecular Formula
C9H18N3O4P
SMILES
C(CP(=O)(CCC(=O)N)CCC(=O)N)C(=O)N
InChI
InChI=1S/C9H18N3O4P/c10-7(13)1-4-17(16,5-2-8(11)14)6-3-9(12)15/h1-6H2,(H2,10,13)(H2,11,14)(H2,12,15)
InChIKey
RTPJQJWHYUSMRD-UHFFFAOYSA-N
Compound name
3-bis(3-amino-3-oxopropyl)phosphorylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

263.1035 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11078 161.3
[M+Na]+ 286.09272 164.6
[M-H]- 262.09622 158.3
[M+NH4]+ 281.13732 176.1
[M+K]+ 302.06666 164.0
[M+H-H2O]+ 246.10076 152.6
[M+HCOO]- 308.10170 187.3
[M+CH3COO]- 322.11735 204.0
[M+Na-2H]- 284.07817 158.1
[M]+ 263.10295 159.9
[M]- 263.10405 159.9
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