CID 78492

N-methylfurfurylamine

Structural Information

Molecular Formula
C6H9NO
SMILES
CNCC1=CC=CO1
InChI
InChI=1S/C6H9NO/c1-7-5-6-3-2-4-8-6/h2-4,7H,5H2,1H3
InChIKey
DGLIOWSKNOCHEX-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

994
Patents

111.06841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 119.6
[M+Na]+ 134.05763 127.3
[M-H]- 110.06113 124.0
[M+NH4]+ 129.10223 142.6
[M+K]+ 150.03157 127.8
[M+H-H2O]+ 94.065670 114.4
[M+HCOO]- 156.06661 146.1
[M+CH3COO]- 170.08226 169.1
[M+Na-2H]- 132.04308 128.4
[M]+ 111.06786 120.3
[M]- 111.06896 120.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe