CID 135455430

Nitrosofungin

Structural Information

Molecular Formula
C3H8N2O3
SMILES
CC(CO)/[N+](=N/O)/[O-]
InChI
InChI=1S/C3H8N2O3/c1-3(2-6)5(8)4-7/h3,6-7H,2H2,1H3/b5-4-
InChIKey
IDWDQTUMRSGLSV-PLNGDYQASA-N
Compound name
(Z)-hydroxyimino-(1-hydroxypropan-2-yl)-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

120.05349 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.060766 120.3
[M+Na]+ 143.042708 126.5
[M-H]- 119.046214 119.7
[M+NH4]+ 138.087313 141.0
[M+K]+ 159.016648 123.1
[M+H-H2O]+ 103.050750 120.4
[M+HCOO]- 165.051691 145.2
[M+CH3COO]- 179.067341 163.1
[M+Na-2H]- 141.028156 128.2
[M]+ 120.05294142 117.3
[M]- 120.05403858 117.3
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