CID 84689

14909-27-4

Structural Information

Molecular Formula
C16H32N2
SMILES
CC(C)C(=NCCN=C(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C16H32N2/c1-11(2)15(12(3)4)17-9-10-18-16(13(5)6)14(7)8/h11-14H,9-10H2,1-8H3
InChIKey
QHUQCCADYQJJGO-UHFFFAOYSA-N
Compound name
N-[2-(2,4-dimethylpentan-3-ylideneamino)ethyl]-2,4-dimethylpentan-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.25655 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.263826 171.5
[M+Na]+ 275.245768 173.3
[M-H]- 251.249274 173.4
[M+NH4]+ 270.290373 189.4
[M+K]+ 291.219708 173.8
[M+H-H2O]+ 235.253810 164.8
[M+HCOO]- 297.254751 191.5
[M+CH3COO]- 311.270401 214.4
[M+Na-2H]- 273.231216 167.2
[M]+ 252.25600142 173.4
[M]- 252.25709858 173.4
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