CID 20150280

1334146-71-2

Structural Information

Molecular Formula
C5H11NOS
SMILES
CC1CNCCS1=O
InChI
InChI=1S/C5H11NOS/c1-5-4-6-2-3-8(5)7/h5-6H,2-4H2,1H3
InChIKey
SYXJWCCFFUMDRG-UHFFFAOYSA-N
Compound name
2-methyl-1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

133.05614 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06342 124.8
[M+Na]+ 156.04536 131.7
[M-H]- 132.04886 125.5
[M+NH4]+ 151.08996 145.3
[M+K]+ 172.01930 129.5
[M+H-H2O]+ 116.05340 119.5
[M+HCOO]- 178.05434 138.6
[M+CH3COO]- 192.06999 166.5
[M+Na-2H]- 154.03081 127.4
[M]+ 133.05559 120.9
[M]- 133.05669 120.9
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