CID 117815

1,6,11-undecanetriamine

Structural Information

Molecular Formula

C₁₁H₂₇N₃

SMILES

C(CCC(CCCCCN)N)CCN

InChI

InChI=1S/C11H27N3/c12-9-5-1-3-7-11(14)8-4-2-6-10-13/h11H,1-10,12-14H2

InChIKey

DQWFTGPZPKZMAB-UHFFFAOYSA-N

Compound name

undecane-1,6,11-triamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 654
Patents: 201.2205 Da
Monoisotopic Mass: 0.3
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]+	202.22778	153.3
[M+Na]+	224.20972	155.7
[M-H]-	200.21322	151.0
[M+NH4]+	219.25432	170.8
[M+K]+	240.18366	153.5
[M+H-H2O]+	184.21776	146.5
[M+HCOO]-	246.21870	175.6
[M+CH3COO]-	260.23435	196.1
[M+Na-2H]-	222.19517	153.9
[M]+	201.21995	150.3
[M]-	201.22105	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe