CID 47554

3-acetylamino-4-methylfurazan

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

CC1=NON=C1NC(=O)C

InChI

InChI=1S/C5H7N3O2/c1-3-5(6-4(2)9)8-10-7-3/h1-2H3,(H,6,8,9)

InChIKey

NMEPMXRPKVASSH-UHFFFAOYSA-N

Compound name

N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.05383 Da
Monoisotopic Mass: 0.2
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]+	142.06111	126.9
[M+Na]+	164.04305	137.4
[M+NH4]+	159.08765	133.6
[M+K]+	180.01699	135.7
[M-H]-	140.04655	127.8
[M+Na-2H]-	162.02850	131.4
[M]+	141.05328	128.3
[M]-	141.05438	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe