CID 1819114

626216-42-0

Structural Information

Molecular Formula
C10H18N2O
SMILES
CC1=CC=C(O1)CNCCN(C)C
InChI
InChI=1S/C10H18N2O/c1-9-4-5-10(13-9)8-11-6-7-12(2)3/h4-5,11H,6-8H2,1-3H3
InChIKey
KMMNJQOFNFWIQZ-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.1419 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.14918 143.2
[M+Na]+ 205.13112 149.3
[M-H]- 181.13462 148.7
[M+NH4]+ 200.17572 163.9
[M+K]+ 221.10506 150.0
[M+H-H2O]+ 165.13916 136.6
[M+HCOO]- 227.14010 169.8
[M+CH3COO]- 241.15575 190.7
[M+Na-2H]- 203.11657 148.5
[M]+ 182.14135 146.2
[M]- 182.14245 146.2
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.