CID 55298426

1314981-14-0

Structural Information

Molecular Formula

C₆H₁₀ClNO

SMILES

CC1(CC(=NO1)CCl)C

InChI

InChI=1S/C6H10ClNO/c1-6(2)3-5(4-7)8-9-6/h3-4H2,1-2H3

InChIKey

ADBFLWKOYIBFQR-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-5,5-dimethyl-4H-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 147.04509 Da
Monoisotopic Mass: 1.4
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]+	148.05237	125.6
[M+Na]+	170.03431	135.7
[M-H]-	146.03781	128.7
[M+NH4]+	165.07891	149.2
[M+K]+	186.00825	134.6
[M+H-H2O]+	130.04235	121.5
[M+HCOO]-	192.04329	143.8
[M+CH3COO]-	206.05894	171.9
[M+Na-2H]-	168.01976	133.0
[M]+	147.04454	128.5
[M]-	147.04564	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe