CID 25220800

1185294-97-6

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CCC1=NOC(C1)CN

InChI

InChI=1S/C6H12N2O/c1-2-5-3-6(4-7)9-8-5/h6H,2-4,7H2,1H3

InChIKey

OSTRPKKMBVWFFI-UHFFFAOYSA-N

Compound name

(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 128.09496 Da
Monoisotopic Mass: -0.3
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]+	129.10224	125.9
[M+Na]+	151.08418	136.0
[M+NH4]+	146.12878	134.0
[M+K]+	167.05812	133.0
[M-H]-	127.08768	128.3
[M+Na-2H]-	149.06963	130.2
[M]+	128.09441	127.7
[M]-	128.09551	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.