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]+ 169.133546 138.6
[M+Na]+ 191.115488 144.2
[M-H]- 167.118994 143.9
[M+NH4]+ 186.160093 159.5
[M+K]+ 207.089428 145.1
[M+H-H2O]+ 151.123530 131.9
[M+HCOO]- 213.124471 165.6
[M+CH3COO]- 227.140121 186.6
[M+Na-2H]- 189.100936 145.1
[M]+ 168.12572142 140.8
[M]- 168.12681858 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.