CID 117822109

2866318-29-6

Structural Information

Molecular Formula
C5H12N2OS
SMILES
CN=S1(=O)CCNCC1
InChI
InChI=1S/C5H12N2OS/c1-6-9(8)4-2-7-3-5-9/h7H,2-5H2,1H3
InChIKey
GYROQSQNDJGFGN-UHFFFAOYSA-N
Compound name
1-methylimino-1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

148.06703 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.074306 127.2
[M+Na]+ 171.056248 133.9
[M-H]- 147.059754 129.2
[M+NH4]+ 166.100853 149.2
[M+K]+ 187.030188 132.2
[M+H-H2O]+ 131.064290 121.9
[M+HCOO]- 193.065231 143.7
[M+CH3COO]- 207.080881 170.9
[M+Na-2H]- 169.041696 132.8
[M]+ 148.06648142 123.6
[M]- 148.06757858 123.6
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