CID 164123

121255-03-6

Structural Information

Molecular Formula

C₁₂H₂₈N₂

SMILES

CC(C)NCCCC(C)CNC(C)C

InChI

InChI=1S/C12H28N2/c1-10(2)13-8-6-7-12(5)9-14-11(3)4/h10-14H,6-9H2,1-5H3

InChIKey

JPJUNWVJXUAVAC-UHFFFAOYSA-N

Compound name

2-methyl-N,N'-di(propan-2-yl)pentane-1,5-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 200.22525 Da
Monoisotopic Mass: 2.5
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]+	201.23253	156.7
[M+Na]+	223.21447	159.0
[M-H]-	199.21797	156.0
[M+NH4]+	218.25907	175.4
[M+K]+	239.18841	158.6
[M+H-H2O]+	183.22251	150.5
[M+HCOO]-	245.22345	177.5
[M+CH3COO]-	259.23910	197.6
[M+Na-2H]-	221.19992	157.0
[M]+	200.22470	156.6
[M]-	200.22580	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe