CID 10336127

Tamiphosphor

Structural Information

Molecular Formula
C13H25N2O5P
SMILES
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)O
InChI
InChI=1S/C13H25N2O5P/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19)/t11-,12+,13+/m0/s1
InChIKey
MSIIIHISTLWEPM-YNEHKIRRSA-N
Compound name
[(3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexen-1-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

70
Patents

320.15012 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15740 175.8
[M+Na]+ 343.13934 178.8
[M-H]- 319.14284 174.3
[M+NH4]+ 338.18394 188.4
[M+K]+ 359.11328 177.8
[M+H-H2O]+ 303.14738 167.3
[M+HCOO]- 365.14832 197.2
[M+CH3COO]- 379.16397 210.1
[M+Na-2H]- 341.12479 171.8
[M]+ 320.14957 174.3
[M]- 320.15067 174.3
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