CID 12654430

[(5-chlorofuran-2-yl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C6H8ClNO
SMILES
CNCC1=CC=C(O1)Cl
InChI
InChI=1S/C6H8ClNO/c1-8-4-5-2-3-6(7)9-5/h2-3,8H,4H2,1H3
InChIKey
WCWRSEFANVOMNG-UHFFFAOYSA-N
Compound name
1-(5-chlorofuran-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.02943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03671 127.3
[M+Na]+ 168.01865 136.7
[M-H]- 144.02215 131.8
[M+NH4]+ 163.06325 150.0
[M+K]+ 183.99259 134.9
[M+H-H2O]+ 128.02669 123.0
[M+HCOO]- 190.02763 149.1
[M+CH3COO]- 204.04328 174.1
[M+Na-2H]- 166.00410 134.8
[M]+ 145.02888 130.2
[M]- 145.02998 130.2
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.