CID 53356678

Nitrosoperoxycarbonic acid

Structural Information

Molecular Formula
CHNO5
SMILES
C(=O)(O)OON=O
InChI
InChI=1S/CHNO5/c3-1(4)6-7-2-5/h(H,3,4)
InChIKey
KSZMOTXUZYNGAZ-UHFFFAOYSA-N
Compound name
nitrosooxy hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

168
Patents

106.98547 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.99275 110.5
[M+Na]+ 129.97469 119.1
[M-H]- 105.97819 111.6
[M+NH4]+ 125.01929 132.9
[M+K]+ 145.94863 121.7
[M+H-H2O]+ 89.982730 105.8
[M+HCOO]- 151.98367 137.5
[M+CH3COO]- 165.99932 165.3
[M+Na-2H]- 127.96014 119.4
[M]+ 106.98492 114.2
[M]- 106.98602 114.2
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

patents stripe