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: 6
Patents: 120.05349 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	121.06077	120.3
[M+Na]+	143.04271	126.5
[M-H]-	119.04621	119.7
[M+NH4]+	138.08731	141.0
[M+K]+	159.01665	123.1
[M+H-H2O]+	103.05075	120.4
[M+HCOO]-	165.05169	145.2
[M+CH3COO]-	179.06734	163.1
[M+Na-2H]-	141.02816	128.2
[M]+	120.05294	117.3
[M]-	120.05404	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe