CID 24271630

1-amino-2-(thiophen-2-yl)propan-2-ol

Structural Information

Molecular Formula
C7H11NOS
SMILES
CC(CN)(C1=CC=CS1)O
InChI
InChI=1S/C7H11NOS/c1-7(9,5-8)6-3-2-4-10-6/h2-4,9H,5,8H2,1H3
InChIKey
ZJJKSRKFQJJIKJ-UHFFFAOYSA-N
Compound name
1-amino-2-thiophen-2-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.05614 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 133.3
[M+Na]+ 180.04536 142.0
[M+NH4]+ 175.08996 142.0
[M+K]+ 196.01930 137.3
[M-H]- 156.04886 134.4
[M+Na-2H]- 178.03081 137.7
[M]+ 157.05559 135.1
[M]- 157.05669 135.1
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.