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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.24818 160.1
[M+Na]+ 273.23012 164.6
[M-H]- 249.23362 165.7
[M+NH4]+ 268.27472 182.5
[M+K]+ 289.20406 164.0
[M+H-H2O]+ 233.23816 155.1
[M+HCOO]- 295.23910 181.4
[M+CH3COO]- 309.25475 208.8
[M+Na-2H]- 271.21557 162.1
[M]+ 250.24035 159.1
[M]- 250.24145 159.1
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

patents stripe