CID 137500092

2169621-58-1

Structural Information

Molecular Formula
C7H6N2OS
SMILES
CC1=C(N2C=NC=C2S1)C=O
InChI
InChI=1S/C7H6N2OS/c1-5-6(3-10)9-4-8-2-7(9)11-5/h2-4H,1H3
InChIKey
UJNLNSQSXAUWKG-UHFFFAOYSA-N
Compound name
2-methylimidazo[5,1-b][1,3]thiazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

166.02008 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 130.8
[M+Na]+ 189.00930 144.5
[M-H]- 165.01280 134.8
[M+NH4]+ 184.05390 155.0
[M+K]+ 204.98324 142.0
[M+H-H2O]+ 149.01734 125.7
[M+HCOO]- 211.01828 151.9
[M+CH3COO]- 225.03393 146.6
[M+Na-2H]- 186.99475 134.0
[M]+ 166.01953 137.1
[M]- 166.02063 137.1
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