CID 444183

1190-00-7

Structural Information

Molecular Formula
C5H14NO6P
SMILES
C(COP(=O)(O)OC[C@@H](CO)O)N
InChI
InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m1/s1
InChIKey
JZNWSCPGTDBMEW-RXMQYKEDSA-N
Compound name
2-aminoethyl [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

150
References

19307
Patents

215.05588 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06316 146.6
[M+Na]+ 238.04510 151.4
[M-H]- 214.04860 140.8
[M+NH4]+ 233.08970 162.7
[M+K]+ 254.01904 151.4
[M+H-H2O]+ 198.05314 139.3
[M+HCOO]- 260.05408 170.5
[M+CH3COO]- 274.06973 180.7
[M+Na-2H]- 236.03055 148.1
[M]+ 215.05533 148.1
[M]- 215.05643 148.1
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