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

29
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 121.0
[M+Na]+ 154.00302 133.2
[M+NH4]+ 149.04762 130.5
[M+K]+ 169.97696 129.2
[M-H]- 130.00652 124.5
[M+Na-2H]- 151.98847 127.1
[M]+ 131.01325 123.9
[M]- 131.01435 123.9
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