CID 3046791

1-(4-chloro-2-thienyl)-2-isopropylaminoethanol

Structural Information

Molecular Formula
C9H14ClNOS
SMILES
CC(C)NCC(C1=CC(=CS1)Cl)O
InChI
InChI=1S/C9H14ClNOS/c1-6(2)11-4-8(12)9-3-7(10)5-13-9/h3,5-6,8,11-12H,4H2,1-2H3
InChIKey
YGOWRPCBESCQEU-UHFFFAOYSA-N
Compound name
1-(4-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.04846 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05574 148.1
[M+Na]+ 242.03768 155.3
[M-H]- 218.04118 150.7
[M+NH4]+ 237.08228 168.9
[M+K]+ 258.01162 151.2
[M+H-H2O]+ 202.04572 143.6
[M+HCOO]- 264.04666 161.0
[M+CH3COO]- 278.06231 186.1
[M+Na-2H]- 240.02313 147.1
[M]+ 219.04791 150.7
[M]- 219.04901 150.7
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.