CID 14677545

120073-83-8

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1=COC(=C1)CN
InChI
InChI=1S/C6H9NO/c1-5-2-6(3-7)8-4-5/h2,4H,3,7H2,1H3
InChIKey
HMHSVQXZBMKUMA-UHFFFAOYSA-N
Compound name
(4-methylfuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

111.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 119.7
[M+Na]+ 134.057628 128.4
[M-H]- 110.061134 124.0
[M+NH4]+ 129.102233 142.8
[M+K]+ 150.031568 128.4
[M+H-H2O]+ 94.065670 114.8
[M+HCOO]- 156.066611 145.6
[M+CH3COO]- 170.082261 169.5
[M+Na-2H]- 132.043076 126.8
[M]+ 111.06786142 119.8
[M]- 111.06895858 119.8
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