CID 440233

(r)-1-ammoniopropan-2-yl phosphate(1-)

Structural Information

Molecular Formula
C3H10NO4P
SMILES
C[C@H](CN)OP(=O)(O)O
InChI
InChI=1S/C3H10NO4P/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m1/s1
InChIKey
YBOLZUJJGUZUDC-GSVOUGTGSA-N
Compound name
[(2R)-1-aminopropan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

155.03474 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04202 132.9
[M+Na]+ 178.02396 139.3
[M-H]- 154.02746 129.0
[M+NH4]+ 173.06856 152.4
[M+K]+ 193.99790 139.5
[M+H-H2O]+ 138.03200 126.4
[M+HCOO]- 200.03294 158.6
[M+CH3COO]- 214.04859 172.5
[M+Na-2H]- 176.00941 135.4
[M]+ 155.03419 132.7
[M]- 155.03529 132.7
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