CID 5007494

626216-39-5

Structural Information

Molecular Formula
C9H16N2O
SMILES
CN(C)CCNCC1=CC=CO1
InChI
InChI=1S/C9H16N2O/c1-11(2)6-5-10-8-9-4-3-7-12-9/h3-4,7,10H,5-6,8H2,1-2H3
InChIKey
FSUKHKIOJCSGHL-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 138.6
[M+Na]+ 191.11549 144.2
[M-H]- 167.11899 143.9
[M+NH4]+ 186.16009 159.5
[M+K]+ 207.08943 145.1
[M+H-H2O]+ 151.12353 131.9
[M+HCOO]- 213.12447 165.6
[M+CH3COO]- 227.14012 186.6
[M+Na-2H]- 189.10094 145.1
[M]+ 168.12572 140.8
[M]- 168.12682 140.8
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

No patent data available for this compound.