CID 3857

5652-28-8

Structural Information

Molecular Formula
C3H8NO5P
SMILES
C(C(C(=O)O)N)P(=O)(O)O
InChI
InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
InChIKey
LBTABPSJONFLPO-UHFFFAOYSA-N
Compound name
2-amino-3-phosphonopropanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

157
References

1242
Patents

169.014 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02128 134.4
[M+Na]+ 192.00322 140.3
[M-H]- 168.00672 129.2
[M+NH4]+ 187.04782 152.3
[M+K]+ 207.97716 140.1
[M+H-H2O]+ 152.01126 128.0
[M+HCOO]- 214.01220 157.9
[M+CH3COO]- 228.02785 172.3
[M+Na-2H]- 189.98867 135.3
[M]+ 169.01345 132.3
[M]- 169.01455 132.3
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.