CID 54595220

1354951-30-6

Structural Information

Molecular Formula
C6H13NOS
SMILES
CNC1CCS(=O)CC1
InChI
InChI=1S/C6H13NOS/c1-7-6-2-4-9(8)5-3-6/h6-7H,2-5H2,1H3
InChIKey
AMYXHUJOKNHQNT-UHFFFAOYSA-N
Compound name
N-methyl-1-oxothian-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

147.0718 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 128.1
[M+Na]+ 170.06102 134.1
[M-H]- 146.06452 131.4
[M+NH4]+ 165.10562 149.7
[M+K]+ 186.03496 132.4
[M+H-H2O]+ 130.06906 122.7
[M+HCOO]- 192.07000 145.3
[M+CH3COO]- 206.08565 174.3
[M+Na-2H]- 168.04647 131.2
[M]+ 147.07125 125.2
[M]- 147.07235 125.2
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