CID 199408

4146-21-8

Structural Information

Molecular Formula
C7H13NS
SMILES
CC1=NC(CS1)C(C)C
InChI
InChI=1S/C7H13NS/c1-5(2)7-4-9-6(3)8-7/h5,7H,4H2,1-3H3
InChIKey
DYMRFOBZZQTGRL-UHFFFAOYSA-N
Compound name
2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

143.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 129.7
[M+Na]+ 166.06609 138.1
[M-H]- 142.06959 132.5
[M+NH4]+ 161.11069 152.7
[M+K]+ 182.04003 136.9
[M+H-H2O]+ 126.07413 124.3
[M+HCOO]- 188.07507 146.6
[M+CH3COO]- 202.09072 174.4
[M+Na-2H]- 164.05154 130.1
[M]+ 143.07632 130.8
[M]- 143.07742 130.8
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