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

13
Patents

142.02008 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.027356 125.0
[M+Na]+ 165.009298 134.9
[M-H]- 141.012804 128.3
[M+NH4]+ 160.053903 147.6
[M+K]+ 180.983238 133.0
[M+H-H2O]+ 125.017340 119.2
[M+HCOO]- 187.018281 146.5
[M+CH3COO]- 201.033931 172.8
[M+Na-2H]- 162.994746 129.1
[M]+ 142.01953142 127.3
[M]- 142.02062858 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