CID 5363199

Methylazoxymethanol acetate

Structural Information

Molecular Formula
C4H8N2O3
SMILES
CC(=O)OC/N=[N+](/C)\[O-]
InChI
InChI=1S/C4H8N2O3/c1-4(7)9-3-5-6(2)8/h3H2,1-2H3/b6-5-
InChIKey
BELPJCDYWUCHKF-WAYWQWQTSA-N
Compound name
(Z)-acetyloxymethylimino-methyl-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

652
References

1
Patents

132.0535 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06078 123.9
[M+Na]+ 155.04272 131.0
[M-H]- 131.04622 126.1
[M+NH4]+ 150.08732 145.6
[M+K]+ 171.01666 128.6
[M+H-H2O]+ 115.05076 123.6
[M+HCOO]- 177.05170 151.7
[M+CH3COO]- 191.06735 170.1
[M+Na-2H]- 153.02817 132.3
[M]+ 132.05295 124.4
[M]- 132.05405 124.4
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