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
2
Annotation Hits

0
References

141
Patents

127.04557 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.052846 123.3
[M+Na]+ 150.034788 132.7
[M-H]- 126.038294 126.2
[M+NH4]+ 145.079393 146.9
[M+K]+ 166.008728 131.2
[M+H-H2O]+ 110.042830 117.8
[M+HCOO]- 172.043771 143.2
[M+CH3COO]- 186.059421 169.2
[M+Na-2H]- 148.020236 127.0
[M]+ 127.04502142 125.8
[M]- 127.04611858 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