CID 34249

3-(2-(dimethylamino)ethyl)benzothiophen-5-ol

Structural Information

Molecular Formula
C12H15NOS
SMILES
CN(C)CCC1=CSC2=C1C=C(C=C2)O
InChI
InChI=1S/C12H15NOS/c1-13(2)6-5-9-8-15-12-4-3-10(14)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3
InChIKey
LNSNJDNSHSTQTL-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl]-1-benzothiophen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.08743 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09471 147.2
[M+Na]+ 244.07665 156.8
[M-H]- 220.08015 152.8
[M+NH4]+ 239.12125 169.5
[M+K]+ 260.05059 153.5
[M+H-H2O]+ 204.08469 141.8
[M+HCOO]- 266.08563 167.9
[M+CH3COO]- 280.10128 191.2
[M+Na-2H]- 242.06210 150.5
[M]+ 221.08688 152.6
[M]- 221.08798 152.6
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