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]+ 104.03422 116.1
[M+Na]+ 126.01616 123.6
[M-H]- 102.01966 115.6
[M+NH4]+ 121.06076 137.8
[M+K]+ 141.99010 119.7
[M+H-H2O]+ 86.024200 117.0
[M+HCOO]- 148.02514 140.2
[M+CH3COO]- 162.04079 157.3
[M+Na-2H]- 124.00161 123.7
[M]+ 103.02639 113.3
[M]- 103.02749 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.