CID 28064907

1082420-52-7

Structural Information

Molecular Formula

SMILES

C1CC1C2=NC(=NO2)CN

InChI

InChI=1S/C6H9N3O/c7-3-5-8-6(10-9-5)4-1-2-4/h4H,1-3,7H2

InChIKey

OHHMKIRNPAHPPV-UHFFFAOYSA-N

Compound name

(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 139.07455 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]+	140.08183	129.4
[M+Na]+	162.06377	141.9
[M+NH4]+	157.10837	137.9
[M+K]+	178.03771	140.3
[M-H]-	138.06727	139.4
[M+Na-2H]-	160.04922	137.8
[M]+	139.07400	134.9
[M]-	139.07510	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe