CID 20150227

2402829-87-0

Structural Information

Molecular Formula
C6H13NOS
SMILES
CC1(CNCCS1=O)C
InChI
InChI=1S/C6H13NOS/c1-6(2)5-7-3-4-9(6)8/h7H,3-5H2,1-2H3
InChIKey
BUXUIHPTHLOVAH-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

147.0718 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 128.2
[M+Na]+ 170.06102 135.5
[M-H]- 146.06452 129.0
[M+NH4]+ 165.10562 150.2
[M+K]+ 186.03496 133.4
[M+H-H2O]+ 130.06906 123.6
[M+HCOO]- 192.07000 141.7
[M+CH3COO]- 206.08565 169.1
[M+Na-2H]- 168.04647 131.8
[M]+ 147.07125 125.1
[M]- 147.07235 125.1
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