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]+ 148.079076 128.1
[M+Na]+ 170.061018 134.1
[M-H]- 146.064524 131.4
[M+NH4]+ 165.105623 149.7
[M+K]+ 186.034958 132.4
[M+H-H2O]+ 130.069060 122.7
[M+HCOO]- 192.070001 145.3
[M+CH3COO]- 206.085651 174.3
[M+Na-2H]- 168.046466 131.2
[M]+ 147.07125142 125.2
[M]- 147.07234858 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