CID 3079448

125674-79-5

Structural Information

Molecular Formula
C8H16NO3P
SMILES
CC(C)(C)C1=NOC(C1)P(=O)(C)O
InChI
InChI=1S/C8H16NO3P/c1-8(2,3)6-5-7(12-9-6)13(4,10)11/h7H,5H2,1-4H3,(H,10,11)
InChIKey
GXUPUFYVANJJEN-UHFFFAOYSA-N
Compound name
(3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl)-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

205.08678 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09406 148.1
[M+Na]+ 228.07600 155.6
[M-H]- 204.07950 148.7
[M+NH4]+ 223.12060 166.5
[M+K]+ 244.04994 156.1
[M+H-H2O]+ 188.08404 141.2
[M+HCOO]- 250.08498 171.2
[M+CH3COO]- 264.10063 182.2
[M+Na-2H]- 226.06145 151.6
[M]+ 205.08623 150.2
[M]- 205.08733 150.2
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