CID 80100

((tetradecylimino)bis(methylene))diphosphonic acid

Structural Information

Molecular Formula
C16H37NO6P2
SMILES
CCCCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C16H37NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23)
InChIKey
ANMMXBKZQYAUII-UHFFFAOYSA-N
Compound name
[phosphonomethyl(tetradecyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.20963 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.216906 198.7
[M+Na]+ 424.198848 201.4
[M-H]- 400.202354 193.9
[M+NH4]+ 419.243453 196.7
[M+K]+ 440.172788 194.4
[M+H-H2O]+ 384.206890 179.5
[M+HCOO]- 446.207831 209.7
[M+CH3COO]- 460.223481 221.0
[M+Na-2H]- 422.184296 182.8
[M]+ 401.20908142 192.2
[M]- 401.21017858 192.2
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.