CID 108755

55695-89-1

Structural Information

Molecular Formula
C18H38N2O2
SMILES
CC(C)(C)C(C(C)(C)C)N([N+](=O)C(C(C)(C)C)C(C)(C)C)[O-]
InChI
InChI=1S/C18H38N2O2/c1-15(2,3)13(16(4,5)6)19(21)20(22)14(17(7,8)9)18(10,11)12/h13-14H,1-12H3
InChIKey
IIVFGJKIYVRZQW-UHFFFAOYSA-N
Compound name
[oxido(2,2,4,4-tetramethylpentan-3-yl)amino]-oxo-(2,2,4,4-tetramethylpentan-3-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.29333 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.30061 197.4
[M+Na]+ 337.28255 207.6
[M-H]- 313.28605 203.3
[M+NH4]+ 332.32715 208.3
[M+K]+ 353.25649 209.0
[M+H-H2O]+ 297.29059 174.4
[M+HCOO]- 359.29153 209.4
[M+CH3COO]- 373.30718 212.8
[M+Na-2H]- 335.26800 192.1
[M]+ 314.29278 200.8
[M]- 314.29388 200.8
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

No patent data available for this compound.