CID 54594663

2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

Structural Information

Molecular Formula
C8H14N2S
SMILES
CCC(C)(C1=NC(=CS1)C)N
InChI
InChI=1S/C8H14N2S/c1-4-8(3,9)7-10-6(2)5-11-7/h5H,4,9H2,1-3H3
InChIKey
IENJVAGPJNDVCO-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09505 137.5
[M+Na]+ 193.07699 146.2
[M-H]- 169.08049 140.0
[M+NH4]+ 188.12159 159.0
[M+K]+ 209.05093 143.8
[M+H-H2O]+ 153.08503 131.8
[M+HCOO]- 215.08597 155.4
[M+CH3COO]- 229.10162 180.5
[M+Na-2H]- 191.06244 139.7
[M]+ 170.08722 138.6
[M]- 170.08832 138.6
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.