CID 24229643

Methyl[(thian-4-yl)methyl]amine

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 129.8
[M+Na]+ 168.08173 134.3
[M-H]- 144.08523 132.6
[M+NH4]+ 163.12633 151.3
[M+K]+ 184.05567 132.6
[M+H-H2O]+ 128.08977 124.2
[M+HCOO]- 190.09071 146.3
[M+CH3COO]- 204.10636 175.1
[M+Na-2H]- 166.06718 133.1
[M]+ 145.09196 126.2
[M]- 145.09306 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