CID 194763

1-aminocyclopropylphosphonic acid

Structural Information

Molecular Formula
C3H8NO3P
SMILES
C1CC1(N)P(=O)(O)O
InChI
InChI=1S/C3H8NO3P/c4-3(1-2-3)8(5,6)7/h1-2,4H2,(H2,5,6,7)
InChIKey
WKCJTSHOKDLADL-UHFFFAOYSA-N
Compound name
(1-aminocyclopropyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

137.02419 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.03147 126.4
[M+Na]+ 160.01341 135.9
[M-H]- 136.01691 127.5
[M+NH4]+ 155.05801 143.8
[M+K]+ 175.98735 134.1
[M+H-H2O]+ 120.02145 121.1
[M+HCOO]- 182.02239 152.6
[M+CH3COO]- 196.03804 171.3
[M+Na-2H]- 157.99886 132.2
[M]+ 137.02364 127.6
[M]- 137.02474 127.6
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