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

11
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 137.2
[M+Na]+ 194.06102 145.3
[M+NH4]+ 189.10562 145.6
[M+K]+ 210.03496 140.7
[M-H]- 170.06452 138.4
[M+Na-2H]- 192.04647 140.7
[M]+ 171.07125 138.8
[M]- 171.07235 138.8
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