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

15
Patents

133.05614 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.063416 124.8
[M+Na]+ 156.045358 131.7
[M-H]- 132.048864 125.5
[M+NH4]+ 151.089963 145.3
[M+K]+ 172.019298 129.5
[M+H-H2O]+ 116.053400 119.5
[M+HCOO]- 178.054341 138.6
[M+CH3COO]- 192.069991 166.5
[M+Na-2H]- 154.030806 127.4
[M]+ 133.05559142 120.9
[M]- 133.05668858 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