CID 14457874

120771-22-4

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC1=C(ON=C1C(C)C)N

InChI

InChI=1S/C7H12N2O/c1-4(2)6-5(3)7(8)10-9-6/h4H,8H2,1-3H3

InChIKey

PSPCPJKZLWXHRV-UHFFFAOYSA-N

Compound name

4-methyl-3-propan-2-yl-1,2-oxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 140.09496 Da
Monoisotopic Mass: 1.5
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]+	141.102236	129.4
[M+Na]+	163.084178	138.4
[M-H]-	139.087684	132.6
[M+NH4]+	158.128783	150.2
[M+K]+	179.058118	138.5
[M+H-H2O]+	123.092220	123.6
[M+HCOO]-	185.093161	152.7
[M+CH3COO]-	199.108811	177.2
[M+Na-2H]-	161.069626	133.8
[M]+	140.09441142	130.1
[M]-	140.09550858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe