CID 82594571

Methyl[(thian-3-yl)methyl]amine hydrochloride

Structural Information

Molecular Formula
C7H15NS
SMILES
CNCC1CCCSC1
InChI
InChI=1S/C7H15NS/c1-8-5-7-3-2-4-9-6-7/h7-8H,2-6H2,1H3
InChIKey
ZKCGKMAAVCBPOX-UHFFFAOYSA-N
Compound name
N-methyl-1-(thian-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

145.09251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 129.8
[M+Na]+ 168.081728 134.3
[M-H]- 144.085234 132.6
[M+NH4]+ 163.126333 151.3
[M+K]+ 184.055668 132.6
[M+H-H2O]+ 128.089770 124.2
[M+HCOO]- 190.090711 146.3
[M+CH3COO]- 204.106361 175.1
[M+Na-2H]- 166.067176 133.1
[M]+ 145.09196142 126.2
[M]- 145.09305858 126.2
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