CID 22014528

39512-63-5

Structural Information

Molecular Formula

C₇H₁₁N₃O₃

SMILES

CC(C)(C)OC(=O)NC1=NOC=N1

InChI

InChI=1S/C7H11N3O3/c1-7(2,3)13-6(11)9-5-8-4-12-10-5/h4H,1-3H3,(H,9,10,11)

InChIKey

REWQNYFPXZTNHQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(1,2,4-oxadiazol-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 185.08005 Da
Monoisotopic Mass: 1.0
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]+	186.08733	138.5
[M+Na]+	208.06927	147.4
[M+NH4]+	203.11387	144.0
[M+K]+	224.04321	147.0
[M-H]-	184.07277	138.2
[M+Na-2H]-	206.05472	142.2
[M]+	185.07950	139.3
[M]-	185.08060	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe