CID 21183829

2-benzyl-1,3-thiazole

Structural Information

Molecular Formula
C10H9NS
SMILES
C1=CC=C(C=C1)CC2=NC=CS2
InChI
InChI=1S/C10H9NS/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-7H,8H2
InChIKey
ABCSPNANFXDHDU-UHFFFAOYSA-N
Compound name
2-benzyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1155
Patents

175.04558 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 134.3
[M+Na]+ 198.03480 143.7
[M-H]- 174.03830 140.4
[M+NH4]+ 193.07940 155.7
[M+K]+ 214.00874 140.3
[M+H-H2O]+ 158.04284 127.8
[M+HCOO]- 220.04378 154.8
[M+CH3COO]- 234.05943 148.6
[M+Na-2H]- 196.02025 138.6
[M]+ 175.04503 135.9
[M]- 175.04613 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe