CID 16227941

929974-90-3

Structural Information

Molecular Formula
C8H13NOS
SMILES
C1=CSC=C1CC(CN)CO
InChI
InChI=1S/C8H13NOS/c9-4-8(5-10)3-7-1-2-11-6-7/h1-2,6,8,10H,3-5,9H2
InChIKey
BCZRSSJFDOEFIF-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-thiophen-3-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.0718 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07908 137.3
[M+Na]+ 194.06102 143.8
[M-H]- 170.06452 139.1
[M+NH4]+ 189.10562 158.7
[M+K]+ 210.03496 141.0
[M+H-H2O]+ 154.06906 131.7
[M+HCOO]- 216.07000 155.6
[M+CH3COO]- 230.08565 176.6
[M+Na-2H]- 192.04647 138.0
[M]+ 171.07125 136.9
[M]- 171.07235 136.9
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.