CID 43519546

1-(5-methylfuran-2-yl)ethane-1,2-diamine

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC1=CC=C(O1)C(CN)N
InChI
InChI=1S/C7H12N2O/c1-5-2-3-7(10-5)6(9)4-8/h2-3,6H,4,8-9H2,1H3
InChIKey
HVRFFLOYIZGOTK-UHFFFAOYSA-N
Compound name
1-(5-methylfuran-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 130.1
[M+Na]+ 163.084178 137.1
[M-H]- 139.087684 133.7
[M+NH4]+ 158.128783 151.2
[M+K]+ 179.058118 136.9
[M+H-H2O]+ 123.092220 124.3
[M+HCOO]- 185.093161 155.0
[M+CH3COO]- 199.108811 177.7
[M+Na-2H]- 161.069626 134.5
[M]+ 140.09441142 128.1
[M]- 140.09550858 128.1
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

No patent data available for this compound.