CID 15563821

(4,5-dimethylfuran-2-yl)methanamine

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1=C(OC(=C1)CN)C
InChI
InChI=1S/C7H11NO/c1-5-3-7(4-8)9-6(5)2/h3H,4,8H2,1-2H3
InChIKey
UCBATGNMXGXKRM-UHFFFAOYSA-N
Compound name
(4,5-dimethylfuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

125.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.1
[M+Na]+ 148.07328 133.3
[M-H]- 124.07678 128.7
[M+NH4]+ 143.11788 147.0
[M+K]+ 164.04722 133.1
[M+H-H2O]+ 108.08132 119.4
[M+HCOO]- 170.08226 149.7
[M+CH3COO]- 184.09791 173.7
[M+Na-2H]- 146.05873 130.0
[M]+ 125.08351 125.0
[M]- 125.08461 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