CID 3017811

2-isopropyl-4-methyl-3-thiazoline

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
4
Annotation Hits

1
References

74
Patents

143.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 129.7
[M+Na]+ 166.066088 138.1
[M-H]- 142.069594 132.5
[M+NH4]+ 161.110693 152.7
[M+K]+ 182.040028 136.9
[M+H-H2O]+ 126.074130 124.3
[M+HCOO]- 188.075071 146.6
[M+CH3COO]- 202.090721 174.4
[M+Na-2H]- 164.051536 130.1
[M]+ 143.07632142 130.8
[M]- 143.07741858 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