CID 28065074

1060817-49-3

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CC1C2=CC(=NO2)CN

InChI

InChI=1S/C7H10N2O/c8-4-6-3-7(10-9-6)5-1-2-5/h3,5H,1-2,4,8H2

InChIKey

YAGKRVQCDOMDOS-UHFFFAOYSA-N

Compound name

(5-cyclopropyl-1,2-oxazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 138.07932 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]+	139.08660	129.0
[M+Na]+	161.06854	141.5
[M+NH4]+	156.11314	138.1
[M+K]+	177.04248	139.5
[M-H]-	137.07204	139.7
[M+Na-2H]-	159.05399	137.6
[M]+	138.07877	134.8
[M]-	138.07987	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe