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]+ 172.079076 137.3
[M+Na]+ 194.061018 143.8
[M-H]- 170.064524 139.1
[M+NH4]+ 189.105623 158.7
[M+K]+ 210.034958 141.0
[M+H-H2O]+ 154.069060 131.7
[M+HCOO]- 216.070001 155.6
[M+CH3COO]- 230.085651 176.6
[M+Na-2H]- 192.046466 138.0
[M]+ 171.07125142 136.9
[M]- 171.07234858 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.