CID 3046792

2-tert-butylamino-1-(4-chloro-2-thienyl)ethanol

Structural Information

Molecular Formula
C10H16ClNOS
SMILES
CC(C)(C)NCC(C1=CC(=CS1)Cl)O
InChI
InChI=1S/C10H16ClNOS/c1-10(2,3)12-5-8(13)9-4-7(11)6-14-9/h4,6,8,12-13H,5H2,1-3H3
InChIKey
QLRBKJWERTZNJE-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-(4-chlorothiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.06412 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07140 153.3
[M+Na]+ 256.05334 160.8
[M-H]- 232.05684 155.9
[M+NH4]+ 251.09794 173.8
[M+K]+ 272.02728 156.4
[M+H-H2O]+ 216.06138 149.1
[M+HCOO]- 278.06232 165.4
[M+CH3COO]- 292.07797 187.9
[M+Na-2H]- 254.03879 153.7
[M]+ 233.06357 156.2
[M]- 233.06467 156.2
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.