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]+ 149.07431 127.2
[M+Na]+ 171.05625 133.9
[M-H]- 147.05975 129.2
[M+NH4]+ 166.10085 149.2
[M+K]+ 187.03019 132.2
[M+H-H2O]+ 131.06429 121.9
[M+HCOO]- 193.06523 143.7
[M+CH3COO]- 207.08088 170.9
[M+Na-2H]- 169.04170 132.8
[M]+ 148.06648 123.6
[M]- 148.06758 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