CID 2834959

2,2-dimethyl-n-(1,3-thiazol-2-yl)propanamide

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CC(C)(C)C(=O)NC1=NC=CS1
InChI
InChI=1S/C8H12N2OS/c1-8(2,3)6(11)10-7-9-4-5-12-7/h4-5H,1-3H3,(H,9,10,11)
InChIKey
CISAFUJYQGBPLZ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

45
Patents

184.06703 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 141.1
[M+Na]+ 207.056248 148.9
[M-H]- 183.059754 143.9
[M+NH4]+ 202.100853 161.9
[M+K]+ 223.030188 147.3
[M+H-H2O]+ 167.064290 135.2
[M+HCOO]- 229.065231 159.0
[M+CH3COO]- 243.080881 180.5
[M+Na-2H]- 205.041696 143.9
[M]+ 184.06648142 142.8
[M]- 184.06757858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe