CID 56927732

(z)-2-methyl-peroxyaminoacrylate

Structural Information

Molecular Formula
C4H7NO3
SMILES
C/C(=C/N)/C(=O)OO
InChI
InChI=1S/C4H7NO3/c1-3(2-5)4(6)8-7/h2,7H,5H2,1H3/b3-2-
InChIKey
DYYSAMFOJRGAMQ-IHWYPQMZSA-N
Compound name
(Z)-3-amino-2-methylprop-2-eneperoxoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

117.042595 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04987 122.0
[M+Na]+ 140.03181 129.0
[M-H]- 116.03532 120.9
[M+NH4]+ 135.07642 143.2
[M+K]+ 156.00575 129.1
[M+H-H2O]+ 100.03986 117.6
[M+HCOO]- 162.04080 144.5
[M+CH3COO]- 176.05645 167.1
[M+Na-2H]- 138.01726 126.2
[M]+ 117.04205 120.2
[M]- 117.04314 120.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.