CID 112623630

1216221-22-5

Structural Information

Molecular Formula
C8H10BrNS
SMILES
CC1(CCC2=C1N=C(S2)Br)C
InChI
InChI=1S/C8H10BrNS/c1-8(2)4-3-5-6(8)10-7(9)11-5/h3-4H2,1-2H3
InChIKey
ONUWZXYMESWYNW-UHFFFAOYSA-N
Compound name
2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.97173 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.979006 136.9
[M+Na]+ 253.960948 152.5
[M-H]- 229.964454 144.4
[M+NH4]+ 249.005553 165.3
[M+K]+ 269.934888 142.0
[M+H-H2O]+ 213.968990 139.6
[M+HCOO]- 275.969931 154.0
[M+CH3COO]- 289.985581 154.0
[M+Na-2H]- 251.946396 141.5
[M]+ 230.97118142 158.5
[M]- 230.97227858 158.5
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

No patent data available for this compound.