CID 3046796

1-(5-bromo-2-thienyl)-2-tert-butylaminoethanol

Structural Information

Molecular Formula
C10H16BrNOS
SMILES
CC(C)(C)NCC(C1=CC=C(S1)Br)O
InChI
InChI=1S/C10H16BrNOS/c1-10(2,3)12-6-7(13)8-4-5-9(11)14-8/h4-5,7,12-13H,6H2,1-3H3
InChIKey
ZYEBIXIZJRKPDP-UHFFFAOYSA-N
Compound name
1-(5-bromothiophen-2-yl)-2-(tert-butylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.0136 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02088 153.5
[M+Na]+ 300.00282 164.0
[M-H]- 276.00632 158.7
[M+NH4]+ 295.04742 175.0
[M+K]+ 315.97676 151.9
[M+H-H2O]+ 260.01086 153.6
[M+HCOO]- 322.01180 168.2
[M+CH3COO]- 336.02745 193.8
[M+Na-2H]- 297.98827 156.1
[M]+ 277.01305 173.0
[M]- 277.01415 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.