CID 66989084

3-amino-1-(thiophen-2-yl)butan-1-ol

Structural Information

Molecular Formula
C8H13NOS
SMILES
CC(CC(C1=CC=CS1)O)N
InChI
InChI=1S/C8H13NOS/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4,6-7,10H,5,9H2,1H3
InChIKey
MLZPXVVKOVENGJ-UHFFFAOYSA-N
Compound name
3-amino-1-thiophen-2-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

171.0718 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07908 138.2
[M+Na]+ 194.06102 144.3
[M-H]- 170.06452 140.1
[M+NH4]+ 189.10562 159.5
[M+K]+ 210.03496 142.1
[M+H-H2O]+ 154.06906 132.7
[M+HCOO]- 216.07000 155.4
[M+CH3COO]- 230.08565 177.5
[M+Na-2H]- 192.04647 137.7
[M]+ 171.07125 137.2
[M]- 171.07235 137.2
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

patents stripe