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]+ 118.049871 122.0
[M+Na]+ 140.031813 129.0
[M-H]- 116.035319 120.9
[M+NH4]+ 135.076418 143.2
[M+K]+ 156.005753 129.1
[M+H-H2O]+ 100.039855 117.6
[M+HCOO]- 162.040796 144.5
[M+CH3COO]- 176.056446 167.1
[M+Na-2H]- 138.017261 126.2
[M]+ 117.04204642 120.2
[M]- 117.04314358 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.