CID 66071544

2416229-64-4

Structural Information

Molecular Formula
C7H15NO3S
SMILES
COC1(CCS(=O)(=O)CC1)CN
InChI
InChI=1S/C7H15NO3S/c1-11-7(6-8)2-4-12(9,10)5-3-7/h2-6,8H2,1H3
InChIKey
ASBWAIQONHBREG-UHFFFAOYSA-N
Compound name
(4-methoxy-1,1-dioxothian-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.07727 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08455 136.5
[M+Na]+ 216.06649 143.6
[M-H]- 192.06999 139.3
[M+NH4]+ 211.11109 159.6
[M+K]+ 232.04043 142.3
[M+H-H2O]+ 176.07453 132.6
[M+HCOO]- 238.07547 153.2
[M+CH3COO]- 252.09112 179.4
[M+Na-2H]- 214.05194 141.4
[M]+ 193.07672 136.0
[M]- 193.07782 136.0
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.