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]+ 158.063416 133.1
[M+Na]+ 180.045358 140.7
[M-H]- 156.048864 135.3
[M+NH4]+ 175.089963 155.2
[M+K]+ 196.019298 138.1
[M+H-H2O]+ 140.053400 128.3
[M+HCOO]- 202.054341 151.2
[M+CH3COO]- 216.069991 173.1
[M+Na-2H]- 178.030806 136.2
[M]+ 157.05559142 132.5
[M]- 157.05668858 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.