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]+ 141.10224 130.1
[M+Na]+ 163.08418 137.1
[M-H]- 139.08768 133.7
[M+NH4]+ 158.12878 151.2
[M+K]+ 179.05812 136.9
[M+H-H2O]+ 123.09222 124.3
[M+HCOO]- 185.09316 155.0
[M+CH3COO]- 199.10881 177.7
[M+Na-2H]- 161.06963 134.5
[M]+ 140.09441 128.1
[M]- 140.09551 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.