CID 18525866

35801-15-1

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1=C(C=CO1)CN
InChI
InChI=1S/C6H9NO/c1-5-6(4-7)2-3-8-5/h2-3H,4,7H2,1H3
InChIKey
JBJAKJOQAZHEJQ-UHFFFAOYSA-N
Compound name
(2-methylfuran-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
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 119.7
[M+Na]+ 134.05763 128.4
[M-H]- 110.06113 124.0
[M+NH4]+ 129.10223 142.8
[M+K]+ 150.03157 128.4
[M+H-H2O]+ 94.065670 114.8
[M+HCOO]- 156.06661 145.6
[M+CH3COO]- 170.08226 169.5
[M+Na-2H]- 132.04308 126.8
[M]+ 111.06786 119.8
[M]- 111.06896 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