CID 5362564

65894-82-8

Structural Information

Molecular Formula
C9H17NS
SMILES
CCC(C)C1N=C(C(S1)C)C
InChI
InChI=1S/C9H17NS/c1-5-6(2)9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3
InChIKey
FLBOQJFNAYJWIA-UHFFFAOYSA-N
Compound name
2-butan-2-yl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

54
Patents

171.10817 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.115446 137.9
[M+Na]+ 194.097388 146.3
[M-H]- 170.100894 140.7
[M+NH4]+ 189.141993 160.1
[M+K]+ 210.071328 144.6
[M+H-H2O]+ 154.105430 132.4
[M+HCOO]- 216.106371 154.1
[M+CH3COO]- 230.122021 181.5
[M+Na-2H]- 192.082836 136.7
[M]+ 171.10762142 140.1
[M]- 171.10871858 140.1
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