CID 84818697

Potassium n-oxido-2-oxopropanimine oxide

Structural Information

Molecular Formula
C3H5NO3
SMILES
C/C(=C/[N+](=O)[O-])/O
InChI
InChI=1S/C3H5NO3/c1-3(5)2-4(6)7/h2,5H,1H3/b3-2-
InChIKey
WDMUSBZNPWHJBT-IHWYPQMZSA-N
Compound name
(Z)-1-nitroprop-1-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

103.02694 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.034216 116.1
[M+Na]+ 126.016158 123.6
[M-H]- 102.019664 115.6
[M+NH4]+ 121.060763 137.8
[M+K]+ 141.990098 119.7
[M+H-H2O]+ 86.024200 117.0
[M+HCOO]- 148.025141 140.2
[M+CH3COO]- 162.040791 157.3
[M+Na-2H]- 124.001606 123.7
[M]+ 103.02639142 113.3
[M]- 103.02748858 113.3
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.