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

24
Patents

168.07211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.079386 130.8
[M+Na]+ 191.061328 137.4
[M-H]- 167.064834 136.0
[M+NH4]+ 186.105933 147.2
[M+K]+ 207.035268 137.9
[M+H-H2O]+ 151.069370 119.8
[M+HCOO]- 213.070311 148.4
[M+CH3COO]- 227.085961 181.2
[M+Na-2H]- 189.046776 133.3
[M]+ 168.07156142 138.5
[M]- 168.07265858 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