CID 208079

31634-26-1

Structural Information

Molecular Formula
C11H19NOS
SMILES
CC(C(C1=CC=CS1)O)NC(C)(C)C
InChI
InChI=1S/C11H19NOS/c1-8(12-11(2,3)4)10(13)9-6-5-7-14-9/h5-8,10,12-13H,1-4H3
InChIKey
ODVRZZMDMPPHBD-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-thiophen-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.11873 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.126006 151.6
[M+Na]+ 236.107948 156.9
[M-H]- 212.111454 153.8
[M+NH4]+ 231.152553 171.7
[M+K]+ 252.081888 154.8
[M+H-H2O]+ 196.115990 146.3
[M+HCOO]- 258.116931 167.0
[M+CH3COO]- 272.132581 186.8
[M+Na-2H]- 234.093396 151.6
[M]+ 213.11818142 152.2
[M]- 213.11927858 152.2
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.