CID 17604993

(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N₃O

SMILES

CC(C)(C)C1=NC(=NO1)CN

InChI

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

InChIKey

DEMYOKSOUVVNGZ-UHFFFAOYSA-N

Compound name

(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	134.0
[M+Na]+	178.09509	142.9
[M-H]-	154.09859	135.7
[M+NH4]+	173.13969	152.9
[M+K]+	194.06903	142.8
[M+H-H2O]+	138.10313	127.6
[M+HCOO]-	200.10407	155.5
[M+CH3COO]-	214.11972	177.6
[M+Na-2H]-	176.08054	141.0
[M]+	155.10532	135.0
[M]-	155.10642	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe