CID 3079437

Diammonium (4,5-dihydro-3-propyl-5-isoxazolyl)phosphonate

Structural Information

Molecular Formula
C6H12NO4P
SMILES
CCCC1=NOC(C1)P(=O)(O)O
InChI
InChI=1S/C6H12NO4P/c1-2-3-5-4-6(11-7-5)12(8,9)10/h6H,2-4H2,1H3,(H2,8,9,10)
InChIKey
MPIPMKMERZILGI-UHFFFAOYSA-N
Compound name
(3-propyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.0504 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05768 142.0
[M+Na]+ 216.03962 149.2
[M-H]- 192.04312 141.1
[M+NH4]+ 211.08422 159.8
[M+K]+ 232.01356 149.3
[M+H-H2O]+ 176.04766 134.6
[M+HCOO]- 238.04860 166.0
[M+CH3COO]- 252.06425 175.9
[M+Na-2H]- 214.02507 144.9
[M]+ 193.04985 143.4
[M]- 193.05095 143.4
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

patents stripe