CID 71756031

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

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(CC(C1=CC=CO1)O)N
InChI
InChI=1S/C8H13NO2/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4,6-7,10H,5,9H2,1H3
InChIKey
WAFBZZZRVPRDGT-UHFFFAOYSA-N
Compound name
3-amino-1-(furan-2-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 135.0
[M+Na]+ 178.08386 140.8
[M-H]- 154.08736 137.3
[M+NH4]+ 173.12846 155.0
[M+K]+ 194.05780 140.8
[M+H-H2O]+ 138.09190 129.4
[M+HCOO]- 200.09284 156.9
[M+CH3COO]- 214.10849 175.7
[M+Na-2H]- 176.06931 138.5
[M]+ 155.09409 133.6
[M]- 155.09519 133.6
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.