CID 21522763

950603-21-1

Structural Information

Molecular Formula
C6H13NS
SMILES
C1CSCCC1CN
InChI
InChI=1S/C6H13NS/c7-5-6-1-3-8-4-2-6/h6H,1-5,7H2
InChIKey
AWCWSADJWHZJOL-UHFFFAOYSA-N
Compound name
thian-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

131.07687 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 125.9
[M+Na]+ 154.066088 130.8
[M-H]- 130.069594 128.3
[M+NH4]+ 149.110693 147.6
[M+K]+ 170.040028 128.9
[M+H-H2O]+ 114.074130 120.4
[M+HCOO]- 176.075071 142.0
[M+CH3COO]- 190.090721 171.4
[M+Na-2H]- 152.051536 128.6
[M]+ 131.07632142 120.8
[M]- 131.07741858 120.8
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