CID 6437837

132472-31-2

Structural Information

Molecular Formula
C8H16NO5P
SMILES
CCC/C(=C\C(C(=O)O)N)/CP(=O)(O)O
InChI
InChI=1S/C8H16NO5P/c1-2-3-6(5-15(12,13)14)4-7(9)8(10)11/h4,7H,2-3,5,9H2,1H3,(H,10,11)(H2,12,13,14)/b6-4+
InChIKey
ZEFQYTSQDVUMEU-GQCTYLIASA-N
Compound name
(E)-2-amino-4-(phosphonomethyl)hept-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

92
References

137
Patents

237.07661 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08389 156.3
[M+Na]+ 260.06583 160.3
[M-H]- 236.06933 150.5
[M+NH4]+ 255.11043 171.5
[M+K]+ 276.03977 159.0
[M+H-H2O]+ 220.07387 149.3
[M+HCOO]- 282.07481 177.5
[M+CH3COO]- 296.09046 186.8
[M+Na-2H]- 258.05128 153.6
[M]+ 237.07606 154.8
[M]- 237.07716 154.8
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