CID 165654396

2751621-40-4

Structural Information

Molecular Formula
C7H13NO3S
SMILES
CS(=O)(=O)C12CC(C1)(OC2)CN
InChI
InChI=1S/C7H13NO3S/c1-12(9,10)7-2-6(3-7,4-8)11-5-7/h2-5,8H2,1H3
InChIKey
PIFXSQXKHPKQBU-UHFFFAOYSA-N
Compound name
(4-methylsulfonyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06161 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.068886 143.9
[M+Na]+ 214.050828 150.2
[M-H]- 190.054334 145.0
[M+NH4]+ 209.095433 166.2
[M+K]+ 230.024768 152.9
[M+H-H2O]+ 174.058870 138.9
[M+HCOO]- 236.059811 156.3
[M+CH3COO]- 250.075461 184.3
[M+Na-2H]- 212.036276 153.4
[M]+ 191.06106142 159.6
[M]- 191.06215858 159.6
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.