CID 3153468

3-{[(furan-2-yl)methyl]amino}propan-1-ol

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1=COC(=C1)CNCCCO
InChI
InChI=1S/C8H13NO2/c10-5-2-4-9-7-8-3-1-6-11-8/h1,3,6,9-10H,2,4-5,7H2
InChIKey
UCMRAPBPWXKDNL-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.09464 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 132.4
[M+Na]+ 178.083858 138.7
[M-H]- 154.087364 135.0
[M+NH4]+ 173.128463 152.8
[M+K]+ 194.057798 138.1
[M+H-H2O]+ 138.091900 126.7
[M+HCOO]- 200.092841 157.0
[M+CH3COO]- 214.108491 174.5
[M+Na-2H]- 176.069306 139.6
[M]+ 155.09409142 133.4
[M]- 155.09518858 133.4
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