CID 45791857

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

Structural Information

Molecular Formula
C11H18N2S
SMILES
CC1=CSC(=N1)C2(CCCCCC2)N
InChI
InChI=1S/C11H18N2S/c1-9-8-14-10(13-9)11(12)6-4-2-3-5-7-11/h8H,2-7,12H2,1H3
InChIKey
PMLQESJABAPBJP-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11906 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12634 147.6
[M+Na]+ 233.10828 151.5
[M-H]- 209.11178 152.9
[M+NH4]+ 228.15288 166.9
[M+K]+ 249.08222 152.0
[M+H-H2O]+ 193.11632 140.4
[M+HCOO]- 255.11726 162.5
[M+CH3COO]- 269.13291 158.4
[M+Na-2H]- 231.09373 147.7
[M]+ 210.11851 140.6
[M]- 210.11961 140.7
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.