CID 40379

Thiazole, 5-propyl-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
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

No literature data available for this compound.

Patent stripe

patents stripe