CID 117951

27215-25-4

Structural Information

Molecular Formula

C₁₄H₃₂N₂O

SMILES

CC(C)CCCCCOCCCNCCCN

InChI

InChI=1S/C14H32N2O/c1-14(2)8-4-3-5-12-17-13-7-11-16-10-6-9-15/h14,16H,3-13,15H2,1-2H3

InChIKey

HEVQBLROGBPURW-UHFFFAOYSA-N

Compound name

N'-[3-(6-methylheptoxy)propyl]propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 244.25146 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.25874	164.6
[M+Na]+	267.24068	170.8
[M+NH4]+	262.28528	170.7
[M+K]+	283.21462	164.4
[M-H]-	243.24418	164.4
[M+Na-2H]-	265.22613	165.7
[M]+	244.25091	165.0
[M]-	244.25201	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe