CID 17754078

Monoisopropylphosphorylserine

Structural Information

Molecular Formula
C6H14NO6P
SMILES
CC(C)OP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C6H14NO6P/c1-4(2)13-14(10,11)12-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey
DALHHSOTZKMXMV-YFKPBYRVSA-N
Compound name
(2S)-2-amino-3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05588 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06316 149.0
[M+Na]+ 250.04510 153.7
[M-H]- 226.04860 144.8
[M+NH4]+ 245.08970 165.2
[M+K]+ 266.01904 155.0
[M+H-H2O]+ 210.05314 141.8
[M+HCOO]- 272.05408 172.4
[M+CH3COO]- 286.06973 186.9
[M+Na-2H]- 248.03055 148.2
[M]+ 227.05533 150.9
[M]- 227.05643 150.9
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

No patent data available for this compound.