CID 24229643

950603-22-2

Structural Information

Molecular Formula
C7H15NS
SMILES
CNCC1CCSCC1
InChI
InChI=1S/C7H15NS/c1-8-6-7-2-4-9-5-3-7/h7-8H,2-6H2,1H3
InChIKey
FPKJBESBCAZWPI-UHFFFAOYSA-N
Compound name
N-methyl-1-(thian-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

145.09251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 130.0
[M+Na]+ 168.08173 139.7
[M+NH4]+ 163.12633 140.2
[M+K]+ 184.05567 131.1
[M-H]- 144.08523 133.4
[M+Na-2H]- 166.06718 135.4
[M]+ 145.09196 132.6
[M]- 145.09306 132.6
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

patents stripe