CID 3065524

2,2-dimethyl-5-isopropyl-3-thiazoline

Structural Information

Molecular Formula
C8H15NS
SMILES
CC(C)C1C=NC(S1)(C)C
InChI
InChI=1S/C8H15NS/c1-6(2)7-5-9-8(3,4)10-7/h5-7H,1-4H3
InChIKey
CHTYSFVNXZOVQI-UHFFFAOYSA-N
Compound name
2,2-dimethyl-5-propan-2-yl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09979 135.1
[M+Na]+ 180.08173 145.7
[M+NH4]+ 175.12633 145.9
[M+K]+ 196.05567 137.8
[M-H]- 156.08523 136.6
[M+Na-2H]- 178.06718 140.9
[M]+ 157.09196 137.6
[M]- 157.09306 137.6
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

No patent data available for this compound.