CID 181880

Carbonoperoxoic acid

Structural Information

Molecular Formula
CH2O4
SMILES
C(=O)(O)OO
InChI
InChI=1S/CH2O4/c2-1(3)5-4/h4H,(H,2,3)
InChIKey
MMCOUVMKNAHQOY-UHFFFAOYSA-N
Compound name
carbonoperoxoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

201
References

76959
Patents

77.99531 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 79.002586 107.7
[M+Na]+ 100.98453 116.2
[M-H]- 76.988034 106.0
[M+NH4]+ 96.029133 130.4
[M+K]+ 116.95847 117.1
[M+H-H2O]+ 60.992570 104.2
[M+HCOO]- 122.99351 130.3
[M+CH3COO]- 137.00916 153.9
[M+Na-2H]- 98.969976 115.1
[M]+ 77.994761 107.6
[M]- 77.995859 107.6
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

patents stripe