CID 81745397

2402831-24-5

Structural Information

Molecular Formula

C₇H₁₃N₃O

SMILES

CC1=NOC(=N1)C(C)(C)CN

InChI

InChI=1S/C7H13N3O/c1-5-9-6(11-10-5)7(2,3)4-8/h4,8H2,1-3H3

InChIKey

NLIJXQFEQWQNAD-UHFFFAOYSA-N

Compound name

2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.10587 Da
Monoisotopic Mass: 0.8
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]+	156.11315	132.8
[M+Na]+	178.09509	143.0
[M+NH4]+	173.13969	139.7
[M+K]+	194.06903	141.2
[M-H]-	154.09859	133.8
[M+Na-2H]-	176.08054	137.2
[M]+	155.10532	134.3
[M]-	155.10642	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.