CID 3050620

3-thiazoline, 2,2-diethyl-

Structural Information

Molecular Formula
C7H13NS
SMILES
CCC1(N=CCS1)CC
InChI
InChI=1S/C7H13NS/c1-3-7(4-2)8-5-6-9-7/h5H,3-4,6H2,1-2H3
InChIKey
MCWHHFLWVAMMAE-UHFFFAOYSA-N
Compound name
2,2-diethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 128.4
[M+Na]+ 166.06609 137.0
[M-H]- 142.06959 131.0
[M+NH4]+ 161.11069 153.1
[M+K]+ 182.04003 135.7
[M+H-H2O]+ 126.07413 123.4
[M+HCOO]- 188.07507 146.4
[M+CH3COO]- 202.09072 172.1
[M+Na-2H]- 164.05154 132.0
[M]+ 143.07632 130.1
[M]- 143.07742 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe