CID 84767493

2229141-37-9

Structural Information

Molecular Formula
C7H15NO2S
SMILES
CC1(CCS(=O)(=O)CC1)CN
InChI
InChI=1S/C7H15NO2S/c1-7(6-8)2-4-11(9,10)5-3-7/h2-6,8H2,1H3
InChIKey
NPWXXJYDEXVNBM-UHFFFAOYSA-N
Compound name
(4-methyl-1,1-dioxothian-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.08235 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08963 133.3
[M+Na]+ 200.07157 140.6
[M-H]- 176.07507 136.3
[M+NH4]+ 195.11617 157.2
[M+K]+ 216.04551 138.8
[M+H-H2O]+ 160.07961 129.6
[M+HCOO]- 222.08055 149.8
[M+CH3COO]- 236.09620 177.3
[M+Na-2H]- 198.05702 138.1
[M]+ 177.08180 131.4
[M]- 177.08290 131.4
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.