CID 4961891

(5-chlorofuran-2-yl)methanamine

Structural Information

Molecular Formula
C5H6ClNO
SMILES
C1=C(OC(=C1)Cl)CN
InChI
InChI=1S/C5H6ClNO/c6-5-2-1-4(3-7)8-5/h1-2H,3,7H2
InChIKey
SGAVYGQUYIXUJV-UHFFFAOYSA-N
Compound name
(5-chlorofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

131.0138 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02108 122.9
[M+Na]+ 154.00302 132.8
[M-H]- 130.00652 127.1
[M+NH4]+ 149.04762 145.9
[M+K]+ 169.97696 130.9
[M+H-H2O]+ 114.01106 118.8
[M+HCOO]- 176.01200 144.4
[M+CH3COO]- 190.02765 170.3
[M+Na-2H]- 151.98847 129.9
[M]+ 131.01325 124.4
[M]- 131.01435 124.4
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