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

55
Patents

171.10817 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11545 137.9
[M+Na]+ 194.09739 146.3
[M-H]- 170.10089 140.7
[M+NH4]+ 189.14199 160.1
[M+K]+ 210.07133 144.6
[M+H-H2O]+ 154.10543 132.4
[M+HCOO]- 216.10637 154.1
[M+CH3COO]- 230.12202 181.5
[M+Na-2H]- 192.08284 136.7
[M]+ 171.10762 140.1
[M]- 171.10872 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