CID 2724683

14003-16-8

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1=CC=C(O1)CN
InChI
InChI=1S/C6H9NO/c1-5-2-3-6(4-7)8-5/h2-3H,4,7H2,1H3
InChIKey
YSEAGSCGERFGBL-UHFFFAOYSA-N
Compound name
(5-methylfuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1129
Patents

111.06841 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe