CID 24263921

2-(4-tert-butylbenzenesulfonyl)ethan-1-amine

Structural Information

Molecular Formula
C12H19NO2S
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CCN
InChI
InChI=1S/C12H19NO2S/c1-12(2,3)10-4-6-11(7-5-10)16(14,15)9-8-13/h4-7H,8-9,13H2,1-3H3
InChIKey
HVXRXGNDSDLWQP-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)sulfonylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.11365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12093 154.7
[M+Na]+ 264.10287 162.2
[M-H]- 240.10637 158.0
[M+NH4]+ 259.14747 172.6
[M+K]+ 280.07681 158.7
[M+H-H2O]+ 224.11091 149.0
[M+HCOO]- 286.11185 171.0
[M+CH3COO]- 300.12750 192.0
[M+Na-2H]- 262.08832 158.4
[M]+ 241.11310 156.8
[M]- 241.11420 156.8
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

patents stripe