CID 3065525

3-thiazoline, 2,5-dimethyl-2-ethyl-

Structural Information

Molecular Formula
C7H13NS
SMILES
CCC1(N=CC(S1)C)C
InChI
InChI=1S/C7H13NS/c1-4-7(3)8-5-6(2)9-7/h5-6H,4H2,1-3H3
InChIKey
SSWCVLWNIYPASQ-UHFFFAOYSA-N
Compound name
2-ethyl-2,5-dimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 127.3
[M+Na]+ 166.06609 136.8
[M-H]- 142.06959 130.3
[M+NH4]+ 161.11069 152.4
[M+K]+ 182.04003 135.5
[M+H-H2O]+ 126.07413 122.8
[M+HCOO]- 188.07507 145.4
[M+CH3COO]- 202.09072 173.1
[M+Na-2H]- 164.05154 130.4
[M]+ 143.07632 129.4
[M]- 143.07742 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