CID 23261617

6-methylpyrrolo[2,1-b][1,3]thiazole

Structural Information

Molecular Formula
C7H7NS
SMILES
CC1=CN2C=CSC2=C1
InChI
InChI=1S/C7H7NS/c1-6-4-7-8(5-6)2-3-9-7/h2-5H,1H3
InChIKey
VOAMQAQHYKIFBH-UHFFFAOYSA-N
Compound name
6-methylpyrrolo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

137.02992 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.037196 124.2
[M+Na]+ 160.019138 136.9
[M-H]- 136.022644 129.3
[M+NH4]+ 155.063743 150.8
[M+K]+ 175.993078 134.7
[M+H-H2O]+ 120.027180 119.8
[M+HCOO]- 182.028121 146.2
[M+CH3COO]- 196.043771 140.5
[M+Na-2H]- 158.004586 128.3
[M]+ 137.02937142 129.0
[M]- 137.03046858 129.0
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