CID 10582822

166964-09-6

Structural Information

Molecular Formula

C₄H₅ClN₂O

SMILES

CC1=NOC(=C1Cl)N

InChI

InChI=1S/C4H5ClN2O/c1-2-3(5)4(6)8-7-2/h6H2,1H3

InChIKey

QMZMMMMDQVQCHL-UHFFFAOYSA-N

Compound name

4-chloro-3-methyl-1,2-oxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 143
Patents: 132.00903 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]+	133.016306	122.1
[M+Na]+	154.998248	133.2
[M-H]-	131.001754	125.3
[M+NH4]+	150.042853	144.0
[M+K]+	170.972188	131.6
[M+H-H2O]+	115.006290	117.2
[M+HCOO]-	177.007231	142.6
[M+CH3COO]-	191.022881	171.1
[M+Na-2H]-	152.983696	128.7
[M]+	132.00848142	124.0
[M]-	132.00957858	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe