CID 208077

31634-25-0

Structural Information

Molecular Formula
C11H19NOS
SMILES
CC(C)CNC(C)C(C1=CC=CS1)O
InChI
InChI=1S/C11H19NOS/c1-8(2)7-12-9(3)11(13)10-5-4-6-14-10/h4-6,8-9,11-13H,7H2,1-3H3
InChIKey
UQQZLAWWRVNBKF-UHFFFAOYSA-N
Compound name
2-(2-methylpropylamino)-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.126006 152.0
[M+Na]+ 236.107948 156.5
[M-H]- 212.111454 153.9
[M+NH4]+ 231.152553 171.8
[M+K]+ 252.081888 154.4
[M+H-H2O]+ 196.115990 146.0
[M+HCOO]- 258.116931 167.7
[M+CH3COO]- 272.132581 188.0
[M+Na-2H]- 234.093396 149.9
[M]+ 213.11818142 152.5
[M]- 213.11927858 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.