CID 5950212

127910-31-0

Structural Information

Molecular Formula
C6H12NO5P
SMILES
C/C(=C\C(C(=O)O)N)/CP(=O)(O)O
InChI
InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)/b4-2+
InChIKey
BDYHNCZIGYIOGJ-DUXPYHPUSA-N
Compound name
(E)-2-amino-4-methyl-5-phosphonopent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

176
References

474
Patents

209.0453 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05258 147.0
[M+Na]+ 232.03452 151.8
[M-H]- 208.03802 141.4
[M+NH4]+ 227.07912 163.2
[M+K]+ 248.00846 150.9
[M+H-H2O]+ 192.04256 140.3
[M+HCOO]- 254.04350 168.8
[M+CH3COO]- 268.05915 180.7
[M+Na-2H]- 230.01997 145.2
[M]+ 209.04475 144.6
[M]- 209.04585 144.6
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.