CID 61348132

2-amino-2-(3-methylthiophen-2-yl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H11NOS
SMILES
CC1=C(SC=C1)C(CO)N
InChI
InChI=1S/C7H11NOS/c1-5-2-3-10-7(5)6(8)4-9/h2-3,6,9H,4,8H2,1H3
InChIKey
SKSYCEDURIYPGT-UHFFFAOYSA-N
Compound name
2-amino-2-(3-methylthiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.05614 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.063416 132.5
[M+Na]+ 180.045358 140.3
[M-H]- 156.048864 134.9
[M+NH4]+ 175.089963 154.8
[M+K]+ 196.019298 137.7
[M+H-H2O]+ 140.053400 127.4
[M+HCOO]- 202.054341 151.0
[M+CH3COO]- 216.069991 174.7
[M+Na-2H]- 178.030806 133.0
[M]+ 157.05559142 132.2
[M]- 157.05668858 132.2
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.