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]+ 104.03422 116.9
[M+Na]+ 126.01616 124.5
[M-H]- 102.01966 115.8
[M+NH4]+ 121.06076 138.7
[M+K]+ 141.99010 124.3
[M+H-H2O]+ 86.024200 112.5
[M+HCOO]- 148.02514 140.7
[M+CH3COO]- 162.04079 163.2
[M+Na-2H]- 124.00161 122.9
[M]+ 103.02639 115.4
[M]- 103.02749 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.