CID 2776162

(2,5-dimethylfuran-3-yl)methanamine

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1=CC(=C(O1)C)CN
InChI
InChI=1S/C7H11NO/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3
InChIKey
AGQXLVABIKZJJG-UHFFFAOYSA-N
Compound name
(2,5-dimethylfuran-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

125.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 124.1
[M+Na]+ 148.073278 133.3
[M-H]- 124.076784 128.7
[M+NH4]+ 143.117883 147.0
[M+K]+ 164.047218 133.1
[M+H-H2O]+ 108.081320 119.4
[M+HCOO]- 170.082261 149.7
[M+CH3COO]- 184.097911 173.7
[M+Na-2H]- 146.058726 130.0
[M]+ 125.08351142 125.0
[M]- 125.08460858 125.0
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