CID 3067219

80881-40-9

Structural Information

Molecular Formula
C7H13NS
SMILES
CCC1(N=C(CS1)C)C
InChI
InChI=1S/C7H13NS/c1-4-7(3)8-6(2)5-9-7/h4-5H2,1-3H3
InChIKey
VDSBMIOHCYMJGU-UHFFFAOYSA-N
Compound name
2-ethyl-2,4-dimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

143.07687 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 127.3
[M+Na]+ 166.066088 136.8
[M-H]- 142.069594 130.3
[M+NH4]+ 161.110693 152.4
[M+K]+ 182.040028 135.5
[M+H-H2O]+ 126.074130 122.8
[M+HCOO]- 188.075071 145.4
[M+CH3COO]- 202.090721 173.1
[M+Na-2H]- 164.051536 130.4
[M]+ 143.07632142 129.4
[M]- 143.07741858 129.4
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