CID 87198

2-propylthiazole

Structural Information

Molecular Formula
C6H9NS
SMILES
CCCC1=NC=CS1
InChI
InChI=1S/C6H9NS/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3
InChIKey
CMOIEFFAOUQJPS-UHFFFAOYSA-N
Compound name
2-propyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1280
Patents

127.04557 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 123.3
[M+Na]+ 150.03479 132.7
[M-H]- 126.03829 126.2
[M+NH4]+ 145.07939 146.9
[M+K]+ 166.00873 131.2
[M+H-H2O]+ 110.04283 117.8
[M+HCOO]- 172.04377 143.2
[M+CH3COO]- 186.05942 169.2
[M+Na-2H]- 148.02024 127.0
[M]+ 127.04502 125.8
[M]- 127.04612 125.8
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