CID 109424

N,n'-diisopropylideneisophoronediamine

Structural Information

Molecular Formula

C₁₆H₃₀N₂

SMILES

CC(=NCC1(CC(CC(C1)(C)C)N=C(C)C)C)C

InChI

InChI=1S/C16H30N2/c1-12(2)17-11-16(7)9-14(18-13(3)4)8-15(5,6)10-16/h14H,8-11H2,1-7H3

InChIKey

CQPAWBDJYIEKOZ-UHFFFAOYSA-N

Compound name

N-[[1,3,3-trimethyl-5-(propan-2-ylideneamino)cyclohexyl]methyl]propan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 250.2409 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]+	251.248176	160.1
[M+Na]+	273.230118	164.6
[M-H]-	249.233624	165.7
[M+NH4]+	268.274723	182.5
[M+K]+	289.204058	164.0
[M+H-H2O]+	233.238160	155.1
[M+HCOO]-	295.239101	181.4
[M+CH3COO]-	309.254751	208.8
[M+Na-2H]-	271.215566	162.1
[M]+	250.24035142	159.1
[M]-	250.24144858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe