CID 61336287

2445790-60-1

Structural Information

Molecular Formula
C9H16N2S
SMILES
CCC(C)(C1=NC(=C(S1)C)C)N
InChI
InChI=1S/C9H16N2S/c1-5-9(4,10)8-11-6(2)7(3)12-8/h5,10H2,1-4H3
InChIKey
LQQLFCXZEOHOIJ-UHFFFAOYSA-N
Compound name
2-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10342 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11070 141.5
[M+Na]+ 207.09264 150.7
[M-H]- 183.09614 144.2
[M+NH4]+ 202.13724 162.8
[M+K]+ 223.06658 148.0
[M+H-H2O]+ 167.10068 136.0
[M+HCOO]- 229.10162 159.0
[M+CH3COO]- 243.11727 184.6
[M+Na-2H]- 205.07809 142.6
[M]+ 184.10287 143.4
[M]- 184.10397 143.4
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.