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

14
Patents

166.02008 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.027356 130.8
[M+Na]+ 189.009298 144.5
[M-H]- 165.012804 134.8
[M+NH4]+ 184.053903 155.0
[M+K]+ 204.983238 142.0
[M+H-H2O]+ 149.017340 125.7
[M+HCOO]- 211.018281 151.9
[M+CH3COO]- 225.033931 146.6
[M+Na-2H]- 186.994746 134.0
[M]+ 166.01953142 137.1
[M]- 166.02062858 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