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 191.3
[M+Na]+ 396.16752 197.3
[M+NH4]+ 391.21212 195.7
[M+K]+ 412.14146 191.5
[M-H]- 372.17102 186.4
[M+Na-2H]- 394.15297 186.8
[M]+ 373.17775 190.5
[M]- 373.17885 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe