CID 208102

31648-06-3

Structural Information

Molecular Formula
C11H19NOS
SMILES
CC(C)CNC(C)C(C1=CSC=C1)O
InChI
InChI=1S/C11H19NOS/c1-8(2)6-12-9(3)11(13)10-4-5-14-7-10/h4-5,7-9,11-13H,6H2,1-3H3
InChIKey
CTGKEFKKQJBYCK-UHFFFAOYSA-N
Compound name
2-(2-methylpropylamino)-1-thiophen-3-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.11873 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12601 152.0
[M+Na]+ 236.10795 156.5
[M-H]- 212.11145 153.9
[M+NH4]+ 231.15255 171.8
[M+K]+ 252.08189 154.4
[M+H-H2O]+ 196.11599 146.0
[M+HCOO]- 258.11693 167.7
[M+CH3COO]- 272.13258 188.0
[M+Na-2H]- 234.09340 149.9
[M]+ 213.11818 152.5
[M]- 213.11928 152.5
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.