CID 16643177

1170451-53-2

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C12H18N2O3S/c13-8-10-3-5-12(6-4-10)18(15,16)14-9-11-2-1-7-17-11/h3-6,11,14H,1-2,7-9,13H2
InChIKey
KFBZZAKDVPFCIN-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10382 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.111096 159.3
[M+Na]+ 293.093038 164.9
[M-H]- 269.096544 165.9
[M+NH4]+ 288.137643 175.5
[M+K]+ 309.066978 162.4
[M+H-H2O]+ 253.101080 152.8
[M+HCOO]- 315.102021 177.2
[M+CH3COO]- 329.117671 195.9
[M+Na-2H]- 291.078486 162.4
[M]+ 270.10327142 158.9
[M]- 270.10436858 158.9
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.