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 133.1
[M+Na]+ 180.04536 140.7
[M-H]- 156.04886 135.3
[M+NH4]+ 175.08996 155.2
[M+K]+ 196.01930 138.1
[M+H-H2O]+ 140.05340 128.3
[M+HCOO]- 202.05434 151.2
[M+CH3COO]- 216.06999 173.1
[M+Na-2H]- 178.03081 136.2
[M]+ 157.05559 132.5
[M]- 157.05669 132.5
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.