CID 110695970

Dtxsid201298604

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CCN(CC)C(=O)C1=NC=CS1
InChI
InChI=1S/C8H12N2OS/c1-3-10(4-2)8(11)7-9-5-6-12-7/h5-6H,3-4H2,1-2H3
InChIKey
BFBCPTUKJYJQKJ-UHFFFAOYSA-N
Compound name
N,N-diethyl-1,3-thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07431 140.2
[M+Na]+ 207.05625 147.7
[M-H]- 183.05975 144.2
[M+NH4]+ 202.10085 161.5
[M+K]+ 223.03019 147.0
[M+H-H2O]+ 167.06429 133.4
[M+HCOO]- 229.06523 160.1
[M+CH3COO]- 243.08088 184.5
[M+Na-2H]- 205.04170 141.6
[M]+ 184.06648 143.8
[M]- 184.06758 143.8
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

No patent data available for this compound.