CID 14677545

4-methyl-2-furanmethanamine

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

31
Patents

111.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 119.8
[M+Na]+ 134.05763 131.1
[M+NH4]+ 129.10223 128.9
[M+K]+ 150.03157 127.7
[M-H]- 110.06113 123.3
[M+Na-2H]- 132.04308 125.6
[M]+ 111.06786 122.3
[M]- 111.06896 122.3
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