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]+ 194.084546 136.5
[M+Na]+ 216.066488 143.6
[M-H]- 192.069994 139.3
[M+NH4]+ 211.111093 159.6
[M+K]+ 232.040428 142.3
[M+H-H2O]+ 176.074530 132.6
[M+HCOO]- 238.075471 153.2
[M+CH3COO]- 252.091121 179.4
[M+Na-2H]- 214.051936 141.4
[M]+ 193.07672142 136.0
[M]- 193.07781858 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.