CID 131751266

Ns00124941

Structural Information

Molecular Formula
C10H19NS
SMILES
CCC1C(N=C(S1)C(C)CC)C
InChI
InChI=1S/C10H19NS/c1-5-7(3)10-11-8(4)9(6-2)12-10/h7-9H,5-6H2,1-4H3
InChIKey
RFBWQYHRQKASFM-UHFFFAOYSA-N
Compound name
2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

185.12383 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.13111 142.4
[M+Na]+ 208.11305 150.3
[M-H]- 184.11655 145.0
[M+NH4]+ 203.15765 164.0
[M+K]+ 224.08699 148.4
[M+H-H2O]+ 168.12109 136.7
[M+HCOO]- 230.12203 158.3
[M+CH3COO]- 244.13768 184.5
[M+Na-2H]- 206.09850 140.7
[M]+ 185.12328 145.0
[M]- 185.12438 145.0
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