CID 22081018

2-(methylamino)-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C5H6N2OS
SMILES
CNC1=NC=C(S1)C=O
InChI
InChI=1S/C5H6N2OS/c1-6-5-7-2-4(3-8)9-5/h2-3H,1H3,(H,6,7)
InChIKey
KSDJPXYNVMNEGZ-UHFFFAOYSA-N
Compound name
2-(methylamino)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

142.02008 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02736 125.0
[M+Na]+ 165.00930 134.9
[M-H]- 141.01280 128.3
[M+NH4]+ 160.05390 147.6
[M+K]+ 180.98324 133.0
[M+H-H2O]+ 125.01734 119.2
[M+HCOO]- 187.01828 146.5
[M+CH3COO]- 201.03393 172.8
[M+Na-2H]- 162.99475 129.1
[M]+ 142.01953 127.3
[M]- 142.02063 127.3
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