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

688
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

literature stripe

Patent stripe

patents stripe