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]+ 231.97901 136.9
[M+Na]+ 253.96095 152.5
[M-H]- 229.96445 144.4
[M+NH4]+ 249.00555 165.3
[M+K]+ 269.93489 142.0
[M+H-H2O]+ 213.96899 139.6
[M+HCOO]- 275.96993 154.0
[M+CH3COO]- 289.98558 154.0
[M+Na-2H]- 251.94640 141.5
[M]+ 230.97118 158.5
[M]- 230.97228 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.