CID 24973504

4-heptyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H18N2S
SMILES
CCCCCCCC1=CSC(=N1)N
InChI
InChI=1S/C10H18N2S/c1-2-3-4-5-6-7-9-8-13-10(11)12-9/h8H,2-7H2,1H3,(H2,11,12)
InChIKey
CUAUNZQFHWHNDR-UHFFFAOYSA-N
Compound name
4-heptyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11906 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12634 144.7
[M+Na]+ 221.10828 152.2
[M-H]- 197.11178 146.5
[M+NH4]+ 216.15288 165.0
[M+K]+ 237.08222 148.9
[M+H-H2O]+ 181.11632 138.1
[M+HCOO]- 243.11726 163.5
[M+CH3COO]- 257.13291 186.2
[M+Na-2H]- 219.09373 145.3
[M]+ 198.11851 147.1
[M]- 198.11961 147.1
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.