CID 3017811

67936-13-4

Structural Information

Molecular Formula
C7H13NS
SMILES
CC1=NC(SC1)C(C)C
InChI
InChI=1S/C7H13NS/c1-5(2)7-8-6(3)4-9-7/h5,7H,4H2,1-3H3
InChIKey
RSSCOFSBIBEMBM-UHFFFAOYSA-N
Compound name
4-methyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

86
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 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

literature stripe

Patent stripe

patents stripe