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]+ 178.089626 133.3
[M+Na]+ 200.071568 140.6
[M-H]- 176.075074 136.3
[M+NH4]+ 195.116173 157.2
[M+K]+ 216.045508 138.8
[M+H-H2O]+ 160.079610 129.6
[M+HCOO]- 222.080551 149.8
[M+CH3COO]- 236.096201 177.3
[M+Na-2H]- 198.057016 138.1
[M]+ 177.08180142 131.4
[M]- 177.08289858 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.