CID 3044789

1-(5-bromo-2-thienyl)-2-isopropylaminoethanol hydrochloride

Structural Information

Molecular Formula
C9H14BrNOS
SMILES
CC(C)NCC(C1=CC=C(S1)Br)O
InChI
InChI=1S/C9H14BrNOS/c1-6(2)11-5-7(12)8-3-4-9(10)13-8/h3-4,6-7,11-12H,5H2,1-2H3
InChIKey
SWGZRKQSFURBJD-UHFFFAOYSA-N
Compound name
1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.99796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00524 148.4
[M+Na]+ 285.98718 158.6
[M-H]- 261.99068 153.5
[M+NH4]+ 281.03178 170.1
[M+K]+ 301.96112 146.8
[M+H-H2O]+ 245.99522 148.1
[M+HCOO]- 307.99616 163.8
[M+CH3COO]- 322.01181 192.1
[M+Na-2H]- 283.97263 149.6
[M]+ 262.99741 167.5
[M]- 262.99851 167.5
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.