CID 4236807

N-hexyl-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C9H18N2S
SMILES
CCCCCCNC1=NCCS1
InChI
InChI=1S/C9H18N2S/c1-2-3-4-5-6-10-9-11-7-8-12-9/h2-8H2,1H3,(H,10,11)
InChIKey
MCRWWYQLJJKMCE-UHFFFAOYSA-N
Compound name
N-hexyl-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

186.11906 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.126336 142.1
[M+Na]+ 209.108278 148.2
[M-H]- 185.111784 143.9
[M+NH4]+ 204.152883 162.9
[M+K]+ 225.082218 145.9
[M+H-H2O]+ 169.116320 135.4
[M+HCOO]- 231.117261 160.5
[M+CH3COO]- 245.132911 182.5
[M+Na-2H]- 207.093726 143.9
[M]+ 186.11851142 143.3
[M]- 186.11960858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe