CID 5362584

76788-46-0

Structural Information

Molecular Formula
C7H13NS
SMILES
CCC1N=C(C(S1)C)C
InChI
InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3
InChIKey
CSACPVARWHDAET-UHFFFAOYSA-N
Compound name
2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

106
Patents

143.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 128.5
[M+Na]+ 166.06609 138.1
[M-H]- 142.06959 131.6
[M+NH4]+ 161.11069 152.0
[M+K]+ 182.04003 136.5
[M+H-H2O]+ 126.07413 123.4
[M+HCOO]- 188.07507 146.5
[M+CH3COO]- 202.09072 174.7
[M+Na-2H]- 164.05154 129.5
[M]+ 143.07632 130.7
[M]- 143.07742 130.7
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