CID 638163

2,2,4,4-tetramethylpentan-3-one (1-tert-butyl-2,2-dimethylpropylidene)hydrazone (non-preferred name)

Structural Information

Molecular Formula
C18H36N2
SMILES
CC(C)(C)C(=NN=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C18H36N2/c1-15(2,3)13(16(4,5)6)19-20-14(17(7,8)9)18(10,11)12/h1-12H3
InChIKey
DWMHYMBCBXWYLA-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

5
Patents

280.28784 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.29512 170.5
[M+Na]+ 303.27706 174.4
[M-H]- 279.28056 173.3
[M+NH4]+ 298.32166 188.4
[M+K]+ 319.25100 174.8
[M+H-H2O]+ 263.28510 166.1
[M+HCOO]- 325.28604 187.8
[M+CH3COO]- 339.30169 215.9
[M+Na-2H]- 301.26251 174.6
[M]+ 280.28729 173.5
[M]- 280.28839 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe