CID 3050569

3-thiazoline, 2,2-dimethyl-

Structural Information

Molecular Formula

SMILES

CC1(N=CCS1)C

InChI

InChI=1S/C5H9NS/c1-5(2)6-3-4-7-5/h3H,4H2,1-2H3

InChIKey

PHNGUPTZRBWMMJ-UHFFFAOYSA-N

Compound name

2,2-dimethyl-5H-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 115.04557 Da
Monoisotopic Mass: 0.8
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]+	116.052846	119.5
[M+Na]+	138.034788	129.0
[M-H]-	114.038294	122.5
[M+NH4]+	133.079393	145.4
[M+K]+	154.008728	128.2
[M+H-H2O]+	98.042830	115.0
[M+HCOO]-	160.043771	138.2
[M+CH3COO]-	174.059421	166.1
[M+Na-2H]-	136.020236	124.1
[M]+	115.04502142	120.5
[M]-	115.04611858	120.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe