CID 3068803

Brn 4469759

Structural Information

Molecular Formula
C16H26N2O
SMILES
CCN(CC)CCNCC1CC2=CC=CC=C2OC1
InChI
InChI=1S/C16H26N2O/c1-3-18(4-2)10-9-17-12-14-11-15-7-5-6-8-16(15)19-13-14/h5-8,14,17H,3-4,9-13H2,1-2H3
InChIKey
AZZCOUFDQDIOHF-UHFFFAOYSA-N
Compound name
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.2045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 164.7
[M+Na]+ 285.19372 167.8
[M-H]- 261.19722 169.6
[M+NH4]+ 280.23832 181.0
[M+K]+ 301.16766 166.6
[M+H-H2O]+ 245.20176 156.7
[M+HCOO]- 307.20270 185.7
[M+CH3COO]- 321.21835 206.9
[M+Na-2H]- 283.17917 170.4
[M]+ 262.20395 165.1
[M]- 262.20505 165.1
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.