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]+ 146.036706 127.3
[M+Na]+ 168.018648 136.7
[M-H]- 144.022154 131.8
[M+NH4]+ 163.063253 150.0
[M+K]+ 183.992588 134.9
[M+H-H2O]+ 128.026690 123.0
[M+HCOO]- 190.027631 149.1
[M+CH3COO]- 204.043281 174.1
[M+Na-2H]- 166.004096 134.8
[M]+ 145.02888142 130.2
[M]- 145.02997858 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.