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]+ 211.126336 147.6
[M+Na]+ 233.108278 151.5
[M-H]- 209.111784 152.9
[M+NH4]+ 228.152883 166.9
[M+K]+ 249.082218 152.0
[M+H-H2O]+ 193.116320 140.4
[M+HCOO]- 255.117261 162.5
[M+CH3COO]- 269.132911 158.4
[M+Na-2H]- 231.093726 147.7
[M]+ 210.11851142 140.6
[M]- 210.11960858 140.6
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.