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]+ 172.079076 138.2
[M+Na]+ 194.061018 144.3
[M-H]- 170.064524 140.1
[M+NH4]+ 189.105623 159.5
[M+K]+ 210.034958 142.1
[M+H-H2O]+ 154.069060 132.7
[M+HCOO]- 216.070001 155.4
[M+CH3COO]- 230.085651 177.5
[M+Na-2H]- 192.046466 137.7
[M]+ 171.07125142 137.2
[M]- 171.07234858 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