CID 22574793

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

Structural Information

Molecular Formula

C₇H₁₃N₃O

SMILES

CC1=NOC(=N1)C(C(C)C)N

InChI

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

InChIKey

FXYRTTMATPBDLI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
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]+	156.113146	134.6
[M+Na]+	178.095088	142.4
[M-H]-	154.098594	136.1
[M+NH4]+	173.139693	153.1
[M+K]+	194.069028	142.9
[M+H-H2O]+	138.103130	127.5
[M+HCOO]-	200.104071	155.6
[M+CH3COO]-	214.119721	179.7
[M+Na-2H]-	176.080536	138.3
[M]+	155.10532142	134.9
[M]-	155.10641858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe