CID 28063751

1041527-07-4

Structural Information

Molecular Formula

C₇H₁₃N₃O

SMILES

CC(C)C1=NOC(=N1)CNC

InChI

InChI=1S/C7H13N3O/c1-5(2)7-9-6(4-8-3)11-10-7/h5,8H,4H2,1-3H3

InChIKey

FGZOBIVRWFUHKE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 155.10587 Da
Monoisotopic Mass: 0.7
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	133.7
[M+Na]+	178.09509	141.7
[M-H]-	154.09859	135.5
[M+NH4]+	173.13969	152.4
[M+K]+	194.06903	142.1
[M+H-H2O]+	138.10313	126.5
[M+HCOO]-	200.10407	156.3
[M+CH3COO]-	214.11972	179.5
[M+Na-2H]-	176.08054	139.7
[M]+	155.10532	135.6
[M]-	155.10642	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe