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

34
Patents

131.0138 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.021076 122.9
[M+Na]+ 154.003018 132.8
[M-H]- 130.006524 127.1
[M+NH4]+ 149.047623 145.9
[M+K]+ 169.976958 130.9
[M+H-H2O]+ 114.011060 118.8
[M+HCOO]- 176.012001 144.4
[M+CH3COO]- 190.027651 170.3
[M+Na-2H]- 151.988466 129.9
[M]+ 131.01325142 124.4
[M]- 131.01434858 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