CID 16784186

2-(aminomethyl)-n-tert-butylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=CC=C1CN
InChI
InChI=1S/C11H18N2O2S/c1-11(2,3)13-16(14,15)10-7-5-4-6-9(10)8-12/h4-7,13H,8,12H2,1-3H3
InChIKey
ARJLJEDVAZLVPJ-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-N-tert-butylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1089 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11618 154.1
[M+Na]+ 265.09812 161.0
[M-H]- 241.10162 157.3
[M+NH4]+ 260.14272 171.5
[M+K]+ 281.07206 157.6
[M+H-H2O]+ 225.10616 148.0
[M+HCOO]- 287.10710 171.6
[M+CH3COO]- 301.12275 194.0
[M+Na-2H]- 263.08357 158.7
[M]+ 242.10835 154.9
[M]- 242.10945 154.9
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.