CID 54592557

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

Structural Information

Molecular Formula
C8H12N2S
SMILES
CC1=CSC(=N1)C2(CCC2)N
InChI
InChI=1S/C8H12N2S/c1-6-5-11-7(10-6)8(9)3-2-4-8/h5H,2-4,9H2,1H3
InChIKey
HHEVRCYVGOMCCU-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

168.07211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07939 130.8
[M+Na]+ 191.06133 137.4
[M-H]- 167.06483 136.0
[M+NH4]+ 186.10593 147.2
[M+K]+ 207.03527 137.9
[M+H-H2O]+ 151.06937 119.8
[M+HCOO]- 213.07031 148.4
[M+CH3COO]- 227.08596 181.2
[M+Na-2H]- 189.04678 133.3
[M]+ 168.07156 138.5
[M]- 168.07266 138.5
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