CID 80099

94087-52-2

Structural Information

Molecular Formula
C14H33NO6P2
SMILES
CCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C14H33NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21)
InChIKey
JKCMTSPAYIZSGR-UHFFFAOYSA-N
Compound name
[dodecyl(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

373.1783 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18558 191.4
[M+Na]+ 396.16752 194.5
[M-H]- 372.17102 187.3
[M+NH4]+ 391.21212 189.5
[M+K]+ 412.14146 186.6
[M+H-H2O]+ 356.17556 172.4
[M+HCOO]- 418.17650 203.2
[M+CH3COO]- 432.19215 215.1
[M+Na-2H]- 394.15297 176.4
[M]+ 373.17775 185.0
[M]- 373.17885 185.0
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.