CID 14701079

2-isobutyl-3-thiazoline

Structural Information

Molecular Formula
C7H13NS
SMILES
CC(C)CC1N=CCS1
InChI
InChI=1S/C7H13NS/c1-6(2)5-7-8-3-4-9-7/h3,6-7H,4-5H2,1-2H3
InChIKey
HNGAQXOAPFFRPE-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

4
Patents

143.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 130.4
[M+Na]+ 166.06609 137.9
[M-H]- 142.06959 132.8
[M+NH4]+ 161.11069 153.1
[M+K]+ 182.04003 136.8
[M+H-H2O]+ 126.07413 124.7
[M+HCOO]- 188.07507 147.4
[M+CH3COO]- 202.09072 173.3
[M+Na-2H]- 164.05154 131.5
[M]+ 143.07632 131.2
[M]- 143.07742 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe