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]+ 192.06889 143.9
[M+Na]+ 214.05083 150.2
[M-H]- 190.05433 145.0
[M+NH4]+ 209.09543 166.2
[M+K]+ 230.02477 152.9
[M+H-H2O]+ 174.05887 138.9
[M+HCOO]- 236.05981 156.3
[M+CH3COO]- 250.07546 184.3
[M+Na-2H]- 212.03628 153.4
[M]+ 191.06106 159.6
[M]- 191.06216 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.