CID 46173085

Peroxyaminoacrylate

Structural Information

Molecular Formula
C3H5NO3
SMILES
C(=C\N)\C(=O)OO
InChI
InChI=1S/C3H5NO3/c4-2-1-3(5)7-6/h1-2,6H,4H2/b2-1-
InChIKey
WQKGFGLGYOHJOG-UPHRSURJSA-N
Compound name
(Z)-3-aminoprop-2-eneperoxoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

103.02694 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.034216 116.9
[M+Na]+ 126.016158 124.5
[M-H]- 102.019664 115.8
[M+NH4]+ 121.060763 138.7
[M+K]+ 141.990098 124.3
[M+H-H2O]+ 86.024200 112.5
[M+HCOO]- 148.025141 140.7
[M+CH3COO]- 162.040791 163.2
[M+Na-2H]- 124.001606 122.9
[M]+ 103.02639142 115.4
[M]- 103.02748858 115.4
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

No patent data available for this compound.