CID 65575723

2995283-44-6

Structural Information

Molecular Formula
C8H12ClNS
SMILES
CC(C)CC1=NC=C(S1)CCl
InChI
InChI=1S/C8H12ClNS/c1-6(2)3-8-10-5-7(4-9)11-8/h5-6H,3-4H2,1-2H3
InChIKey
IHOBNFLCIAZIIW-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-(2-methylpropyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0379 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.045176 138.7
[M+Na]+ 212.027118 148.3
[M-H]- 188.030624 141.6
[M+NH4]+ 207.071723 160.8
[M+K]+ 228.001058 144.8
[M+H-H2O]+ 172.035160 133.7
[M+HCOO]- 234.036101 152.1
[M+CH3COO]- 248.051751 180.8
[M+Na-2H]- 210.012566 139.1
[M]+ 189.03735142 143.2
[M]- 189.03844858 143.2
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.