CID 145867181

[(6,6-dimethyl-1,4-dioxan-2-yl)methyl](imino)methyl-lambda6-sulfanone

Structural Information

Molecular Formula
C8H17NO3S
SMILES
CC1(COCC(O1)CS(=N)(=O)C)C
InChI
InChI=1S/C8H17NO3S/c1-8(2)6-11-4-7(12-8)5-13(3,9)10/h7,9H,4-6H2,1-3H3
InChIKey
QFQPBXUSALZEBJ-UHFFFAOYSA-N
Compound name
(6,6-dimethyl-1,4-dioxan-2-yl)methyl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.09291 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10019 141.8
[M+Na]+ 230.08213 148.3
[M-H]- 206.08563 146.5
[M+NH4]+ 225.12673 160.3
[M+K]+ 246.05607 149.1
[M+H-H2O]+ 190.09017 137.4
[M+HCOO]- 252.09111 155.9
[M+CH3COO]- 266.10676 183.9
[M+Na-2H]- 228.06758 148.5
[M]+ 207.09236 142.7
[M]- 207.09346 142.7
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

No patent data available for this compound.