CID 13324046

5,5-dimethyl-2-propan-2-yl-2h-1,3-thiazole

Structural Information

Molecular Formula
C8H15NS
SMILES
CC(C)C1N=CC(S1)(C)C
InChI
InChI=1S/C8H15NS/c1-6(2)7-9-5-8(3,4)10-7/h5-7H,1-4H3
InChIKey
BQMNKSIPXWTEPI-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-propan-2-yl-2H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 132.1
[M+Na]+ 180.08173 140.8
[M-H]- 156.08523 135.0
[M+NH4]+ 175.12633 156.5
[M+K]+ 196.05567 139.7
[M+H-H2O]+ 140.08977 127.5
[M+HCOO]- 202.09071 148.7
[M+CH3COO]- 216.10636 176.9
[M+Na-2H]- 178.06718 133.6
[M]+ 157.09196 133.9
[M]- 157.09306 133.9
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